[4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-1-piperidyl]-(3-nitrophenyl)methanone CAS Name: [4-[2-amino-6-[(4-methoxyphenyl)methyl]-4-pyrimidinyl]-1-piperidinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(2-amino-6-p-anisyl-pyrimidin-4-yl)piperidino]-(3-nitrophenyl)methanone Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC(=NC(=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC(=NC(=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C24H25N5O4/c1-33-21-7-5-16(6-8-21)13-19-15-22(27-24(25)26-19)17-9-11-28(12-10-17)23(30)18-3-2-4-20(14-18)29(31)32/h2-8,14-15,17H,9-13H2,1H3,(H2,25,26,27)