4-[3-azanyl-2-[(3-methoxyphenyl)methyl]-2-phenyl-piperidin-1-yl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[3-azanyl-2-[(3-methoxyphenyl)methyl]-2-phenyl-piperidin-1-yl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[3-amino-2-[(3-methoxyphenyl)methyl]-2-phenyl-1-piperidyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[3-amino-2-[(3-methoxyphenyl)methyl]-2-phenyl-1-piperidinyl]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[3-amino-2-[(3-methoxyphenyl)methyl]-2-phenylpiperidin-1-yl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-(3-amino-2-m-anisyl-2-phenyl-piperidino)-1-(2-thienyl)butan-1-one Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(C(CCCN2CCCC(=O)C3=CC=CS3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CC2(C(CCCN2CCCC(=O)C3=CC=CS3)N)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2S/c1-31-23-12-5-9-21(19-23)20-27(22-10-3-2-4-11-22)26(28)15-7-17-29(27)16-6-13-24(30)25-14-8-18-32-25/h2-5,8-12,14,18-19,26H,6-7,13,15-17,20,28H2,1H3