N-(3,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(3,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide CAS Name: N-(3,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(3,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-N-(1,2,2-trimethylpropyl)cinchoninamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O2/c1-19(27(2,3)4)28-26(32)23-18-25(29-24-9-7-6-8-22(23)24)31-16-14-30(15-17-31)20-10-12-21(33-5)13-11-20/h6-13,18-19H,14-17H2,1-5H3,(H,28,32)