3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-N-(2-nitrophenyl)propionamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-15(2)21-22-16(3)14-19(24-21)26-12-10-25(11-13-26)9-8-20(28)23-17-6-4-5-7-18(17)27(29)30/h4-7,14-15H,8-13H2,1-3H3,(H,23,28)