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

Systemtic Name: 5-[4-(2-chloranylphenoxy)butyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[4-(2-chlorophenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[4-(2-chlorophenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[4-(2-chlorophenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[4-(2-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=CC=C3Cl)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC=CC=C3Cl)C=O

InChI

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