(4-cycloheptylpiperazin-1-yl)-phenyl-methanone; ethanedioic acid

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-phenyl-methanone; ethanedioic acid Openeye Name: (4-cycloheptylpiperazin-1-yl)-phenyl-methanone; oxalic acid CAS Name: (4-cycloheptyl-1-piperazinyl)-phenylmethanone; oxalic acid IUPAC Name: (4-cycloheptylpiperazin-1-yl)-phenylmethanone; oxalic acid Traditional Name: (4-cycloheptylpiperazino)-phenyl-methanone; oxalic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(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)20-14-12-19(13-15-20)17-10-6-1-2-7-11-17;3-1(4)2(5)6/h3-5,8-9,17H,1-2,6-7,10-15H2;(H,3,4)(H,5,6)