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

Systemtic Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC(=CC(=C3)C)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC(=CC(=C3)C)C)C=O

InChI

InChI=1S/C21H24N2O3/c1-15-10-16(2)12-18(11-15)26-9-8-23-20-7-5-4-6-19(20)22(14-24)13-17(3)21(23)25/h4-7,10-12,14,17H,8-9,13H2,1-3H3