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

Systemtic Name: 6-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]piperidino]nicotinonitrile Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=NC=C(C=C6)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=NC=C(C=C6)C#N

InChI

InChI=1S/C27H35N5O2/c28-17-19-1-2-24(29-18-19)30-5-3-23(4-6-30)25(33)31-7-9-32(10-8-31)26(34)27-14-20-11-21(15-27)13-22(12-20)16-27/h1-2,18,20-23H,3-16H2