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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-keto-4-methyl-piperazino)methyl]-2-phenyl-cinchoninamide Formula: C30H36N4O2 MolecularWeight: 484.63244

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O2/c1-21(22-11-5-3-6-12-22)31-30(36)28-24-15-9-10-16-26(24)32-29(23-13-7-4-8-14-23)25(28)19-34-18-17-33(2)27(35)20-34/h4,7-10,13-16,21-22H,3,5-6,11-12,17-20H2,1-2H3,(H,31,36)/t21-/m0/s1