4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide Openeye Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-[2-(1-piperidyl)ethyl]pyrimidine-5-carboxamide CAS Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-[2-(1-piperidinyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-piperidinoethyl)pyrimidine-5-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCN2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCN2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-18-22(25(31)26-13-16-29-14-6-3-7-15-29)23(20-11-8-12-21(17-20)30(32)33)28-24(27-18)19-9-4-2-5-10-19/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3,(H,26,31)