4-methyl-4-phenyl-2-[2-(phenylmethyl)piperazin-1-yl]pyrimidine-1-carboxylic acid

Systemtic Name: 4-methyl-4-phenyl-2-[2-(phenylmethyl)piperazin-1-yl]pyrimidine-1-carboxylic acid Openeye Name: 2-(2-benzylpiperazin-1-yl)-4-methyl-4-phenyl-pyrimidine-1-carboxylic acid CAS Name: 4-methyl-4-phenyl-2-[2-(phenylmethyl)-1-piperazinyl]-1-pyrimidinecarboxylic acid IUPAC Name: 2-(2-benzylpiperazin-1-yl)-4-methyl-4-phenylpyrimidine-1-carboxylic acid Traditional Name: 2-(2-benzylpiperazino)-4-methyl-4-phenyl-pyrimidine-1-carboxylic acid Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CN(C(=N1)N2CCNCC2CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1(C=CN(C(=N1)N2CCNCC2CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-23(19-10-6-3-7-11-19)12-14-27(22(28)29)21(25-23)26-15-13-24-17-20(26)16-18-8-4-2-5-9-18/h2-12,14,20,24H,13,15-17H2,1H3,(H,28,29)