[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[6-bromo-2-(4-butylphenyl)-4-quinolyl]methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[6-bromo-2-(4-butylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[6-bromo-2-(4-butylphenyl)-4-quinolyl]methanone Formula: C37H36BrN3O MolecularWeight: 618.60524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H36BrN3O/c1-2-3-10-27-15-17-28(18-16-27)35-26-33(32-25-31(38)19-20-34(32)39-35)37(42)41-23-21-40(22-24-41)36(29-11-6-4-7-12-29)30-13-8-5-9-14-30/h4-9,11-20,25-26,36H,2-3,10,21-24H2,1H3