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

Systemtic Name: N-[6-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazino]-3-pyridyl]adamantane-1-carboxamide Formula: C27H30Cl2N4O2 MolecularWeight: 513.4587

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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=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30Cl2N4O2/c28-20-1-3-22(23(29)12-20)25(34)33-7-5-32(6-8-33)24-4-2-21(16-30-24)31-26(35)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-4,12,16-19H,5-11,13-15H2,(H,31,35)