N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-[2-(cyclohexen-1-yl)ethyl]cinchoninamide Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O/c34-29(30-16-15-23-9-3-1-4-10-23)26-21-28(31-27-14-8-7-13-25(26)27)33-19-17-32(18-20-33)22-24-11-5-2-6-12-24/h2,5-9,11-14,21H,1,3-4,10,15-20,22H2,(H,30,34)