N-(1-ethylpiperidin-3-yl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1-ethylpiperidin-3-yl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(1-ethyl-3-piperidyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(1-ethyl-3-piperidinyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-3-yl)-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(1-ethyl-3-piperidyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC(=O)C2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCC(C1)NC(=O)C2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c1-3-29-14-8-12-20(16-29)27-25(31)22-17(2)26-24(18-9-5-4-6-10-18)28-23(22)19-11-7-13-21(15-19)30(32)33/h4-7,9-11,13,15,20H,3,8,12,14,16H2,1-2H3,(H,27,31)