N-[1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)-2-thiophen-3-yl-ethanamide Openeye Name: N-[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]-2-(4-phenylpiperazin-1-yl)-2-(3-thienyl)acetamide CAS Name: N-[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinyl]-2-(4-phenyl-1-piperazinyl)-2-(3-thiophenyl)acetamide IUPAC Name: N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)-2-thiophen-3-ylacetamide Traditional Name: N-[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]-2-(4-phenylpiperazino)-2-(3-thienyl)acetamide Formula: C33H39N5O3S MolecularWeight: 585.75946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NC(=O)C(C4=CSC=C4)N5CCN(CC5)C6=CC=CC=C6)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CCC(CC3)NC(=O)C(C4=CSC=C4)N5CCN(CC5)C6=CC=CC=C6)O

InChI

InChI=1S/C33H39N5O3S/c1-41-27-7-8-30-29(21-27)28(9-13-34-30)31(39)22-36-14-10-25(11-15-36)35-33(40)32(24-12-20-42-23-24)38-18-16-37(17-19-38)26-5-3-2-4-6-26/h2-9,12-13,20-21,23,25,31-32,39H,10-11,14-19,22H2,1H3,(H,35,40)/t31-,32?/m0/s1