1-[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-6-methyl-5-(4-nitrobenzyl)-1H-pyrimidin-2-yl]isonipecotamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-11-15(10-12-2-4-14(5-3-12)23(26)27)17(25)21-18(20-11)22-8-6-13(7-9-22)16(19)24/h2-5,13H,6-10H2,1H3,(H2,19,24)(H,20,21,25)