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

Systemtic Name: 7-methyl-1-[[2-(3-methylbutoxy)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[(2-isopentyloxyphenyl)methyl]-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 7-methyl-1-[[2-(3-methylbutoxy)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 7-methyl-1-[[2-(3-methylbutoxy)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 1-(2-isoamoxybenzyl)-7-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CNC2=O)CC3=CC=CC=C3OCCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CNC2=O)CC3=CC=CC=C3OCCC(C)C

InChI

InChI=1S/C22H26N2O3/c1-15(2)10-11-27-20-7-5-4-6-17(20)14-24-19-9-8-16(3)12-18(19)22(26)23-13-21(24)25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,26)