F1Q
Summary
Name: | ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate |
Formula: | C14 H19 N7 O3 |
Formal charge: | 0 |
Formula weight: | 333.346 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H19N7O3/c1-2-24-13(22)7-16-14(23)21(9-12-17-19-20-18-12)8-10-3-5-11(15)6-4-10/h3-6H,2,7-9,15H2,1H3,(H,16,23)(H,17,18,19,20) |
InChIKey | InChI | 1.03 | MIBVKXZGDPDKCH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2 |
SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2 |