1-[(4-butoxy-3-methoxy-phenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-[(4-butoxy-3-methoxy-phenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[(4-butoxy-3-methoxy-phenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 1-[(4-butoxy-3-methoxyphenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[(4-butoxy-3-methoxyphenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 1-(4-butoxy-3-methoxy-benzyl)-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=C2C=CC(=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=C2C=CC(=C3)C)OC

InChI

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