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

Systemtic Name: [6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(2-thenyl)piperazino]methanone Formula: C27H26BrN3OS MolecularWeight: 520.48384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CS5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CS5)C

InChI

InChI=1S/C27H26BrN3OS/c1-18-5-6-20(14-19(18)2)26-16-24(23-15-21(28)7-8-25(23)29-26)27(32)31-11-9-30(10-12-31)17-22-4-3-13-33-22/h3-8,13-16H,9-12,17H2,1-2H3