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

Systemtic Name: [4-(azepan-1-yl)piperidin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-(azepan-1-yl)-1-piperidyl]-phenyl-methanone; oxalic acid CAS Name: [4-(1-azepanyl)-1-piperidinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(azepan-1-yl)piperidin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(azepan-1-yl)piperidino]-phenyl-methanone; oxalic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O.C2H2O4/c21-18(16-8-4-3-5-9-16)20-14-10-17(11-15-20)19-12-6-1-2-7-13-19;3-1(4)2(5)6/h3-5,8-9,17H,1-2,6-7,10-15H2;(H,3,4)(H,5,6)