2-[4-(1-adamantylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazino]nicotinonitrile Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O/c22-14-18-2-1-3-23-19(18)24-4-6-25(7-5-24)20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h1-3,15-17H,4-13H2