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

Systemtic Name: 3-methyl-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[(4-isopropylphenyl)methyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 3-methyl-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 3-methyl-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-(4-isopropylbenzyl)-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(C)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(C)C)C=O

InChI

InChI=1S/C21H24N2O2/c1-15(2)18-10-8-17(9-11-18)13-23-20-7-5-4-6-19(20)22(14-24)12-16(3)21(23)25/h4-11,14-16H,12-13H2,1-3H3