4-[methyl-(4-methylphenyl)amino]-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

Systemtic Name: 4-[methyl-(4-methylphenyl)amino]-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-(N,4-dimethylanilino)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(N,4-dimethylanilino)-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(N,4-dimethylanilino)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-(N,4-dimethylanilino)-2-phenyl-pyrimidine-5-carboxamide Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C2=NC(=NC=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C2=NC(=NC=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O/c1-23-13-15-27(16-14-23)35(2)30-28(21-32-29(34-30)25-11-7-4-8-12-25)31(37)33-26-17-19-36(20-18-26)22-24-9-5-3-6-10-24/h3-16,21,26H,17-20,22H2,1-2H3,(H,33,37)