[4-(1-adamantyl)piperazin-1-yl]-(7,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(7,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[7,8-dimethyl-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-(7,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(7,8-dimethyl-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-[7,8-dimethyl-2-(4-pyridyl)-4-quinolyl]methanone Formula: C31H36N4O MolecularWeight: 480.64374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C31H36N4O/c1-20-3-4-26-27(16-28(33-29(26)21(20)2)25-5-7-32-8-6-25)30(36)34-9-11-35(12-10-34)31-17-22-13-23(18-31)15-24(14-22)19-31/h3-8,16,22-24H,9-15,17-19H2,1-2H3