3-[[3-(aminomethyl)phenyl]methyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-[3-(aminomethyl)benzyl]-1-ethyl-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC(=CC=C3)CN)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC(=CC=C3)CN)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H29N3O3/c1-4-30-23-16-25(33-3)24(32-2)15-21(23)26(20-11-6-5-7-12-20)29-22(27(30)31)14-18-9-8-10-19(13-18)17-28/h5-13,15-16,22H,4,14,17,28H2,1-3H3