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

Systemtic Name: 1-[(3-methoxy-4-propoxy-phenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[(3-methoxy-4-propoxy-phenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 1-[(3-methoxy-4-propoxyphenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[(3-methoxy-4-propoxyphenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 1-(3-methoxy-4-propoxy-benzyl)-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=C2C=CC(=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN2C(=O)CNC(=O)C3=C2C=CC(=C3)C)OC

InChI

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