2-chloranyl-4-[(2,4-dimethoxyphenyl)methyl]-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-chloranyl-4-[(2,4-dimethoxyphenyl)methyl]-3H-1,4-benzodiazepin-5-one Openeye Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-3H-1,4-benzodiazepin-5-one CAS Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-3H-1,4-benzodiazepin-5-one Traditional Name: 2-chloro-4-(2,4-dimethoxybenzyl)-3H-1,4-benzodiazepin-5-one Formula: C18H17ClN2O3 MolecularWeight: 344.79218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC(=NC3=CC=CC=C3C2=O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC(=NC3=CC=CC=C3C2=O)Cl)OC

InChI

InChI=1S/C18H17ClN2O3/c1-23-13-8-7-12(16(9-13)24-2)10-21-11-17(19)20-15-6-4-3-5-14(15)18(21)22/h3-9H,10-11H2,1-2H3