1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H25N7O2/c1-25-11-13-27(14-12-25)20-18(28(29)30)19(23-16-24-20)26-9-7-21(15-22,8-10-26)17-5-3-2-4-6-17/h2-6,16H,7-14H2,1H3