N-[6-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-[4-(2-chlorobenzoyl)piperazino]-3-pyridyl]adamantane-1-carboxamide Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C27H31ClN4O2/c28-23-4-2-1-3-22(23)25(33)32-9-7-31(8-10-32)24-6-5-21(17-29-24)30-26(34)27-14-18-11-19(15-27)13-20(12-18)16-27/h1-6,17-20H,7-16H2,(H,30,34)