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

Systemtic Name: [6-bromanyl-2-(3-ethoxyphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(3-ethoxyphenyl)-4-quinolyl]-(4-butylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(3-ethoxyphenyl)-4-quinolinyl]-(4-butyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(3-ethoxyphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Traditional Name: (6-bromo-2-m-phenetyl-4-quinolyl)-(4-butylpiperazino)methanone Formula: C26H30BrN3O2 MolecularWeight: 496.4393

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN3O2/c1-3-5-11-29-12-14-30(15-13-29)26(31)23-18-25(19-7-6-8-21(16-19)32-4-2)28-24-10-9-20(27)17-22(23)24/h6-10,16-18H,3-5,11-15H2,1-2H3