2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-6-[(4-phenyl-1-piperazinyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(3-nitrobenzoyl)piperazino]-6-[(4-phenylpiperazino)methyl]-1H-pyrimidin-4-one Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H29N7O4/c34-24-18-21(19-29-9-11-30(12-10-29)22-6-2-1-3-7-22)27-26(28-24)32-15-13-31(14-16-32)25(35)20-5-4-8-23(17-20)33(36)37/h1-8,17-18H,9-16,19H2,(H,27,28,34)