N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(3-pyridyl)cinchoninamide Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C29H29N5O/c1-21(22-12-14-24(15-13-22)34-17-6-2-3-7-18-34)32-33-29(35)26-19-28(23-9-8-16-30-20-23)31-27-11-5-4-10-25(26)27/h4-5,8-16,19-20H,2-3,6-7,17-18H2,1H3,(H,33,35)