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

Systemtic Name: 5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7,8-dimethoxy-1-methyl-5-(3-methylolphenyl)-3-propyl-3H-1,4-benzodiazepin-2-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)CO)OC)OC)C

Isomeric SMILES

CCCC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)CO)OC)OC)C

InChI

InChI=1S/C22H26N2O4/c1-5-7-17-22(26)24(2)18-12-20(28-4)19(27-3)11-16(18)21(23-17)15-9-6-8-14(10-15)13-25/h6,8-12,17,25H,5,7,13H2,1-4H3