7,8-dimethoxy-3-(3-oxidanylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one

Systemtic Name: 7,8-dimethoxy-3-(3-oxidanylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one Openeye Name: 3-(3-hydroxypropyl)-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one CAS Name: 3-(3-hydroxypropyl)-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one IUPAC Name: 3-(3-hydroxypropyl)-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one Traditional Name: 3-(3-hydroxypropyl)-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=O)N(N=C2C3=CC=CC=C3)CCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=O)N(N=C2C3=CC=CC=C3)CCCO)OC

InChI

InChI=1S/C20H22N2O4/c1-25-17-11-15-12-19(24)22(9-6-10-23)21-20(14-7-4-3-5-8-14)16(15)13-18(17)26-2/h3-5,7-8,11,13,23H,6,9-10,12H2,1-2H3