4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-[4-(dipentylamino)phenyl]butan-1-one

Systemtic Name: 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-[4-(dipentylamino)phenyl]butan-1-one Openeye Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-[4-(dipentylamino)phenyl]butan-1-one CAS Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-(dipentylamino)phenyl]-1-butanone IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-(dipentylamino)phenyl]butan-1-one Traditional Name: 4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-[4-(diamylamino)phenyl]butan-1-one Formula: C31H45ClN2O2 MolecularWeight: 513.1542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCN(CCCCC)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C31H45ClN2O2/c1-3-5-7-22-34(23-8-6-4-2)29-17-11-26(12-18-29)30(35)10-9-21-33-24-19-31(36,20-25-33)27-13-15-28(32)16-14-27/h11-18,36H,3-10,19-25H2,1-2H3