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

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(4-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C30H30BrN3O MolecularWeight: 528.4827

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H30BrN3O/c1-2-3-7-22-10-12-23(13-11-22)29-21-27(26-20-24(31)14-15-28(26)32-29)30(35)34-18-16-33(17-19-34)25-8-5-4-6-9-25/h4-6,8-15,20-21H,2-3,7,16-19H2,1H3