E2R
Summary
Name: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
Formula: | C19 H21 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 328.836 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15- |
InChIKey | InChI | 1.03 | MPTVFYKUPILTGI-CTYIDZIISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CC[C@H](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 |
SMILES | CACTVS | 3.385 | N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N |