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

Systemtic Name: 3-methyl-5-[4-(3-methylphenoxy)butyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-5-[4-(3-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 3-methyl-5-[4-(3-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 3-methyl-5-[4-(3-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-[4-(3-methylphenoxy)butyl]-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)CCCCOC3=CC=CC(=C3)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC=CC(=C3)C)C=O

InChI

InChI=1S/C22H26N2O3/c1-17-8-7-9-19(14-17)27-13-6-5-12-24-21-11-4-3-10-20(21)23(16-25)15-18(2)22(24)26/h3-4,7-11,14,16,18H,5-6,12-13,15H2,1-2H3