N-(4-methoxy-2-nitro-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-14(2)21-23-15(3)12-20(25-21)27-10-8-26(9-11-27)16(4)22(29)24-18-7-6-17(32-5)13-19(18)28(30)31/h6-7,12-14,16H,8-11H2,1-5H3,(H,24,29)