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

Systemtic Name: 5-[3-(4-chloranyl-3-methyl-phenoxy)propyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[3-(4-chloro-3-methyl-phenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[3-(4-chloro-3-methylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[3-(4-chloro-3-methylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[3-(4-chloro-3-methyl-phenoxy)propyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C21H23ClN2O3 MolecularWeight: 386.87192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3/c1-15-12-17(8-9-18(15)22)27-11-5-10-24-20-7-4-3-6-19(20)23(14-25)13-16(2)21(24)26/h3-4,6-9,12,14,16H,5,10-11,13H2,1-2H3