ethanedioic acid; 4-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 4-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: 4-[3-(4-methyl-1-piperazinyl)propylamino]-1-phenyl-1-cyclohexanecarbonitrile; oxalic acid IUPAC Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-[3-(4-methylpiperazino)propylamino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2CCC(CC2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCNC2CCC(CC2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N4.C2H2O4/c1-24-14-16-25(17-15-24)13-5-12-23-20-8-10-21(18-22,11-9-20)19-6-3-2-4-7-19;3-1(4)2(5)6/h2-4,6-7,20,23H,5,8-17H2,1H3;(H,3,4)(H,5,6)