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

Systemtic Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-14(2)22-21(28)26-11-9-25(10-12-26)20-19(15(3)23-16(4)24-20)13-17-5-7-18(8-6-17)27(29)30/h5-8,14H,9-13H2,1-4H3,(H,22,28)