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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxidanylidene-4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-[2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-[2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-keto-4-(2-piperidinoethyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C36H47N5O2 MolecularWeight: 581.79068

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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)CCN6CCCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN6CCCCC6

InChI

InChI=1S/C36H47N5O2/c1-27(28-13-5-2-6-14-28)37-36(43)34-30-17-9-10-18-32(30)38-35(29-15-7-3-8-16-29)31(34)25-40-22-24-41(33(42)26-40)23-21-39-19-11-4-12-20-39/h3,7-10,15-18,27-28H,2,4-6,11-14,19-26H2,1H3,(H,37,43)/t27-/m0/s1