1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenyl-butan-1-one

Systemtic Name: 1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-(2-imidazol-1-ylethyl)-1-piperidyl]-3-phenyl-butan-1-one CAS Name: 1-[4-[2-(1-imidazolyl)ethyl]-1-piperidinyl]-3-phenyl-1-butanone IUPAC Name: 1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-(2-imidazol-1-ylethyl)piperidino]-3-phenyl-butan-1-one Formula: C20H27N3O MolecularWeight: 325.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC(CC1)CCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCC(CC1)CCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O/c1-17(19-5-3-2-4-6-19)15-20(24)23-12-8-18(9-13-23)7-11-22-14-10-21-16-22/h2-6,10,14,16-18H,7-9,11-13,15H2,1H3