4-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one

Systemtic Name: 4-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one Openeye Name: 4-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one CAS Name: 4-(1-azepanyl)-1-(4-chlorophenyl)-2-phenyl-1-butanone IUPAC Name: 4-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylbutan-1-one Traditional Name: 4-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one Formula: C22H26ClNO MolecularWeight: 355.90094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO/c23-20-12-10-19(11-13-20)22(25)21(18-8-4-3-5-9-18)14-17-24-15-6-1-2-7-16-24/h3-5,8-13,21H,1-2,6-7,14-17H2