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

Systemtic Name: 3-methyl-5-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-5-[3-(3-methylphenoxy)propyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 3-methyl-5-[3-(3-methylphenoxy)propyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 3-methyl-5-[3-(3-methylphenoxy)propyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-[3-(3-methylphenoxy)propyl]-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)CCCOC3=CC=CC(=C3)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC(=C3)C)C=O

InChI

InChI=1S/C21H24N2O3/c1-16-7-5-8-18(13-16)26-12-6-11-23-20-10-4-3-9-19(20)22(15-24)14-17(2)21(23)25/h3-5,7-10,13,15,17H,6,11-12,14H2,1-2H3