[4-(1-adamantyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[2-(p-tolyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[2-(4-methylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[2-(p-tolyl)-4-quinolyl]methanone Formula: C31H35N3O MolecularWeight: 465.6291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H35N3O/c1-21-6-8-25(9-7-21)29-17-27(26-4-2-3-5-28(26)32-29)30(35)33-10-12-34(13-11-33)31-18-22-14-23(19-31)16-24(15-22)20-31/h2-9,17,22-24H,10-16,18-20H2,1H3