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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC(=C(C(=C3)C)Cl)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC(=C(C(=C3)C)Cl)C)C=O

InChI

InChI=1S/C21H23ClN2O3/c1-14-10-17(11-15(2)20(14)22)27-9-8-24-19-7-5-4-6-18(19)23(13-25)12-16(3)21(24)26/h4-7,10-11,13,16H,8-9,12H2,1-3H3