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

Systemtic Name: 1-[(4-butoxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[(4-butoxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 1-[(4-butoxy-3-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[(4-butoxy-3-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 1-(4-butoxy-3-methoxy-benzyl)-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=CC=CC=C32)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C21H24N2O4/c1-3-4-11-27-18-10-9-15(12-19(18)26-2)14-23-17-8-6-5-7-16(17)21(25)22-13-20(23)24/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,25)