5-[(4-butan-2-ylphenyl)methyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde

Systemtic Name: 5-[(4-butan-2-ylphenyl)methyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-4-oxo-5-[(4-sec-butylphenyl)methyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[(4-butan-2-ylphenyl)methyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[(4-butan-2-ylphenyl)methyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-(4-sec-butylbenzyl)-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(CC(C2=O)C)C=O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(CC(C2=O)C)C=O

InChI

InChI=1S/C22H26N2O2/c1-4-16(2)19-11-9-18(10-12-19)14-24-21-8-6-5-7-20(21)23(15-25)13-17(3)22(24)26/h5-12,15-17H,4,13-14H2,1-3H3