N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H36N4O3/c1-39-29-17-28(34-27-5-3-2-4-26(27)29)30(37)36-12-10-35(11-13-36)25-8-6-24(7-9-25)33-31(38)32-18-21-14-22(19-32)16-23(15-21)20-32/h2-9,17,21-23H,10-16,18-20H2,1H3,(H,33,38)