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

Systemtic Name: 5-[3-(3-azanylpropyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[3-(3-aminopropyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-[3-(3-aminopropyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-[3-(3-aminopropyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-[3-(3-aminopropyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-24-17-12-19(27-3)18(26-2)11-16(17)21(23-13-20(24)25)15-8-4-6-14(10-15)7-5-9-22/h4,6,8,10-12H,5,7,9,13,22H2,1-3H3