3-[1-(azepan-1-yl)-1-phenyl-propyl]quinoline-2-carboxamide

Systemtic Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinoline-2-carboxamide Openeye Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinoline-2-carboxamide CAS Name: 3-[1-(1-azepanyl)-1-phenylpropyl]-2-quinolinecarboxamide IUPAC Name: 3-[1-(azepan-1-yl)-1-phenylpropyl]quinoline-2-carboxamide Traditional Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinaldamide Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C2=CC3=CC=CC=C3N=C2C(=O)N)N4CCCCCC4

Isomeric SMILES

CCC(C1=CC=CC=C1)(C2=CC3=CC=CC=C3N=C2C(=O)N)N4CCCCCC4

InChI

InChI=1S/C25H29N3O/c1-2-25(20-13-6-5-7-14-20,28-16-10-3-4-11-17-28)21-18-19-12-8-9-15-22(19)27-23(21)24(26)29/h5-9,12-15,18H,2-4,10-11,16-17H2,1H3,(H2,26,29)