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

Systemtic Name: 5-[3-(3,4-dimethylphenoxy)propyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[3-(3,4-dimethylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[3-(3,4-dimethylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[3-(3,4-dimethylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[3-(3,4-dimethylphenoxy)propyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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