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

Systemtic Name: 5-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-15-11-18(12-16(2)21(15)23)28-10-6-9-25-20-8-5-4-7-19(20)24(14-26)13-17(3)22(25)27/h4-5,7-8,11-12,14,17H,6,9-10,13H2,1-3H3