N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-(1,4-diazepan-1-ylmethyl)-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)CN5CCCNCC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCCNCC5

InChI

InChI=1S/C30H38N4O/c1-22(23-11-4-2-5-12-23)32-30(35)28-25-15-8-9-16-27(25)33-29(24-13-6-3-7-14-24)26(28)21-34-19-10-17-31-18-20-34/h3,6-9,13-16,22-23,31H,2,4-5,10-12,17-21H2,1H3,(H,32,35)/t22-/m0/s1