N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-(4-pyridyl)cinchoninamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C21H20N4O2/c26-20(25-18-7-3-4-10-23-21(18)27)16-13-19(14-8-11-22-12-9-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,8-9,11-13,18H,3-4,7,10H2,(H,23,27)(H,25,26)/t18-/m0/s1