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

Systemtic Name: 3-[(4-azanylpiperidin-1-yl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-[(4-amino-1-piperidyl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[(4-amino-1-piperidinyl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[(4-aminopiperidin-1-yl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[(4-aminopiperidino)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C30H38N4O MolecularWeight: 470.64892

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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)CN5CCC(CC5)N

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)N

InChI

InChI=1S/C30H38N4O/c1-21(22-10-4-2-5-11-22)32-30(35)28-25-14-8-9-15-27(25)33-29(23-12-6-3-7-13-23)26(28)20-34-18-16-24(31)17-19-34/h3,6-9,12-15,21-22,24H,2,4-5,10-11,16-20,31H2,1H3,(H,32,35)/t21-/m0/s1