NVV
Summary
| Name: | 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one |
| Formula: | C19 H16 I N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 445.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H16IN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | GWAVIYJKLSHVMT-CVEARBPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1cccc(c1)C(=O)[C@H]2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3 |
| SMILES | CACTVS | 3.385 | Ic1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)I)C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O |
