5-[3-(3-azanylpropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-[3-(3-azanylpropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[3-(3-aminopropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-[3-(3-aminopropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-[3-(3-aminopropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-[3-(3-aminopropyl)phenyl]-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC(=CC=C4)CCCN

Isomeric SMILES

CN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC(=CC=C4)CCCN

InChI

InChI=1S/C27H29N3O3/c1-30-21-16-22(32-2)24(19-11-5-4-6-12-19)27(33-3)25(21)26(29-17-23(30)31)20-13-7-9-18(15-20)10-8-14-28/h4-7,9,11-13,15-16H,8,10,14,17,28H2,1-3H3