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

Systemtic Name: [6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]-(4-butylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-(4-butyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]-(4-butylpiperazino)methanone Formula: C26H30BrN3O MolecularWeight: 480.4399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN3O/c1-4-5-10-29-11-13-30(14-12-29)26(31)23-17-25(20-7-6-18(2)19(3)15-20)28-24-9-8-21(27)16-22(23)24/h6-9,15-17H,4-5,10-14H2,1-3H3