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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(4-methoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[6-bromo-2-(4-methoxyphenyl)-4-quinolyl]methanone Formula: C31H34BrN3O2 MolecularWeight: 560.52456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H34BrN3O2/c1-37-25-5-2-23(3-6-25)29-16-27(26-15-24(32)4-7-28(26)33-29)30(36)34-8-10-35(11-9-34)31-17-20-12-21(18-31)14-22(13-20)19-31/h2-7,15-16,20-22H,8-14,17-19H2,1H3