N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-indan-5-yl-quinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-indan-5-yl-cinchoninamide Formula: C30H30N4O MolecularWeight: 462.5854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C30H30N4O/c35-30(31-25-14-13-23-9-6-10-24(23)19-25)27-20-29(32-28-12-5-4-11-26(27)28)34-17-15-33(16-18-34)21-22-7-2-1-3-8-22/h1-5,7-8,11-14,19-20H,6,9-10,15-18,21H2,(H,31,35)