1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenyl-ethanone; ethanedioic acid

Systemtic Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-(azepan-1-yl)-1-piperidyl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-(1-azepanyl)-1-piperidinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(azepan-1-yl)piperidino]-2-phenyl-ethanone; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c22-19(16-17-8-4-3-5-9-17)21-14-10-18(11-15-21)20-12-6-1-2-7-13-20;3-1(4)2(5)6/h3-5,8-9,18H,1-2,6-7,10-16H2;(H,3,4)(H,5,6)