N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C32H42N4O2 MolecularWeight: 514.70148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CCCO

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CCCO

InChI

InChI=1S/C32H42N4O2/c1-24(25-11-4-2-5-12-25)33-32(38)30-27-15-8-9-16-29(27)34-31(26-13-6-3-7-14-26)28(30)23-36-20-18-35(19-21-36)17-10-22-37/h3,6-9,13-16,24-25,37H,2,4-5,10-12,17-23H2,1H3,(H,33,38)/t24-/m0/s1