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

Systemtic Name: N-[6-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-[4-(3-fluorobenzoyl)piperazino]-3-pyridyl]adamantane-1-carboxamide Formula: C27H31FN4O2 MolecularWeight: 462.559043

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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=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN4O2/c28-22-3-1-2-21(13-22)25(33)32-8-6-31(7-9-32)24-5-4-23(17-29-24)30-26(34)27-14-18-10-19(15-27)12-20(11-18)16-27/h1-5,13,17-20H,6-12,14-16H2,(H,30,34)