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

Systemtic Name: [6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(m-tolyl)-4-quinolyl]-(4-butylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(3-methylphenyl)-4-quinolinyl]-(4-butyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(3-methylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(m-tolyl)-4-quinolyl]-(4-butylpiperazino)methanone Formula: C25H28BrN3O MolecularWeight: 466.41332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCN1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H28BrN3O/c1-3-4-10-28-11-13-29(14-12-28)25(30)22-17-24(19-7-5-6-18(2)15-19)27-23-9-8-20(26)16-21(22)23/h5-9,15-17H,3-4,10-14H2,1-2H3