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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3/c1-16-14-23(15-25)19-6-2-3-7-20(19)24(21(16)26)12-4-5-13-27-18-10-8-17(22)9-11-18/h2-3,6-11,15-16H,4-5,12-14H2,1H3