N-(3-cyanophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O/c1-18-23(16-20-7-4-3-5-8-20)24(28-19(2)27-18)30-11-13-31(14-12-30)25(32)29-22-10-6-9-21(15-22)17-26/h3-10,15H,11-14,16H2,1-2H3,(H,29,32)