N-(4-butyl-2-methyl-phenyl)-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C

InChI

InChI=1S/C25H29ClN4O/c1-3-4-5-19-6-9-22(18(2)16-19)28-25(31)30-14-12-29(13-15-30)24-10-11-27-23-17-20(26)7-8-21(23)24/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,28,31)