[4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(m-tolyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(3-methylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(3-methylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[6-bromo-2-(m-tolyl)-4-quinolyl]methanone Formula: C31H34BrN3O MolecularWeight: 544.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H34BrN3O/c1-20-3-2-4-24(11-20)29-16-27(26-15-25(32)5-6-28(26)33-29)30(36)34-7-9-35(10-8-34)31-17-21-12-22(18-31)14-23(13-21)19-31/h2-6,11,15-16,21-23H,7-10,12-14,17-19H2,1H3