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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninamide Formula: C32H40N4O3 MolecularWeight: 528.685

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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(C(=O)C5)CCCO

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCCO

InChI

InChI=1S/C32H40N4O3/c1-23(24-11-4-2-5-12-24)33-32(39)30-26-15-8-9-16-28(26)34-31(25-13-6-3-7-14-25)27(30)21-35-18-19-36(17-10-20-37)29(38)22-35/h3,6-9,13-16,23-24,37H,2,4-5,10-12,17-22H2,1H3,(H,33,39)/t23-/m0/s1