6-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]piperidino]nicotinonitrile Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H23N7O3/c22-13-16-1-3-19(23-14-16)26-7-5-17(6-8-26)21(29)27-11-9-25(10-12-27)18-2-4-20(24-15-18)28(30)31/h1-4,14-15,17H,5-12H2