4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one

Systemtic Name: 4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one Openeye Name: 4-[4-(3-aminophenyl)-1-piperidyl]-1-(4-phenoxyphenyl)butan-1-one CAS Name: 4-[4-(3-aminophenyl)-1-piperidinyl]-1-(4-phenoxyphenyl)-1-butanone IUPAC Name: 4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one Traditional Name: 4-[4-(3-aminophenyl)piperidino]-1-(4-phenoxyphenyl)butan-1-one Formula: C27H30N2O2 MolecularWeight: 414.5393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=CC=C2)N)CCCC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC(=CC=C2)N)CCCC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c28-24-7-4-6-23(20-24)21-15-18-29(19-16-21)17-5-10-27(30)22-11-13-26(14-12-22)31-25-8-2-1-3-9-25/h1-4,6-9,11-14,20-21H,5,10,15-19,28H2