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

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-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:

CCN1CCCC1CNC(=O)C2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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