ethyl 1-[2-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4-benzylpiperazin-1-yl)-2-(m-tolyl)pyrimidine-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3-methylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)pyrimidine-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-benzylpiperazino)-2-(m-tolyl)pyrimidine-5-carbonyl]nipecotic acid ethyl ester Formula: C31H37N5O3 MolecularWeight: 527.65718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)C

InChI

InChI=1S/C31H37N5O3/c1-3-39-31(38)26-13-8-14-36(22-26)30(37)27-20-32-28(25-12-7-9-23(2)19-25)33-29(27)35-17-15-34(16-18-35)21-24-10-5-4-6-11-24/h4-7,9-12,19-20,26H,3,8,13-18,21-22H2,1-2H3