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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/c1-37(2,3)29-16-14-26(15-17-29)34-25-32(31-24-30(38)18-19-33(31)39-34)36(42)41-22-20-40(21-23-41)35(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h4-19,24-25,35H,20-23H2,1-3H3