ethyl 1-[3-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]carbonyl-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]carbonyl-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[4-(4-ethylpiperazin-1-yl)piperidine-1-carbonyl]-6-(2-thienyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[3-[[4-(4-ethyl-1-piperazinyl)-1-piperidinyl]-oxomethyl]-6-thiophen-2-yl-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[4-(4-ethylpiperazin-1-yl)piperidine-1-carbonyl]-6-thiophen-2-ylpyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[4-(4-ethylpiperazino)piperidine-1-carbonyl]-6-(2-thienyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C29H41N5O3S MolecularWeight: 539.73254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N5CCCC(C5)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N5CCCC(C5)C(=O)OCC

InChI

InChI=1S/C29H41N5O3S/c1-3-31-16-18-32(19-17-31)23-11-14-33(15-12-23)28(35)24-9-10-25(26-8-6-20-38-26)30-27(24)34-13-5-7-22(21-34)29(36)37-4-2/h6,8-10,20,22-23H,3-5,7,11-19,21H2,1-2H3