ethanedioic acid; [4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(4-methylpiperazin-1-yl)-1-piperidyl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-(4-methyl-1-piperazinyl)-1-piperidinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(4-methylpiperazino)piperidino]-(4-phenylphenyl)methanone; oxalic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O.C2H2O4/c1-24-15-17-25(18-16-24)22-11-13-26(14-12-22)23(27)21-9-7-20(8-10-21)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10,22H,11-18H2,1H3;(H,3,4)(H,5,6)