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

Systemtic Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinoline-2-carboxamide; ethanedioic acid Openeye Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinoline-2-carboxamide; oxalic acid CAS Name: 3-[1-(1-azepanyl)-1-phenylpropyl]-2-quinolinecarboxamide; oxalic acid IUPAC Name: 3-[1-(azepan-1-yl)-1-phenylpropyl]quinoline-2-carboxamide; oxalic acid Traditional Name: 3-[1-(azepan-1-yl)-1-phenyl-propyl]quinaldamide; oxalic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O.C2H2O4/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;3-1(4)2(5)6/h5-9,12-15,18H,2-4,10-11,16-17H2,1H3,(H2,26,29);(H,3,4)(H,5,6)