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

Systemtic Name: 3-methyl-5-[4-(2-methylphenoxy)butyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-5-[4-(2-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 3-methyl-5-[4-(2-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 3-methyl-5-[4-(2-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-[4-(2-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=C3C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC=CC=C3C)C=O

InChI

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