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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H26N6O3/c1-17-22(16-19-6-4-3-5-7-19)23(26-18(2)25-17)28-12-14-29(15-13-28)24(31)27-20-8-10-21(11-9-20)30(32)33/h3-11H,12-16H2,1-2H3,(H,27,31)