ethanedioic acid; 3-[3-[[(1-ethylpiperidin-4-yl)amino]methyl]indol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-[[(1-ethylpiperidin-4-yl)amino]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[[(1-ethyl-4-piperidyl)amino]methyl]indol-1-yl]propanenitrile; oxalic acid CAS Name: 3-[3-[[(1-ethyl-4-piperidinyl)amino]methyl]-1-indolyl]propanenitrile; oxalic acid IUPAC Name: 3-[3-[[(1-ethylpiperidin-4-yl)amino]methyl]indol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[3-[[(1-ethyl-4-piperidyl)amino]methyl]indol-1-yl]propionitrile; oxalic acid Formula: C23H30N4O8 MolecularWeight: 490.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(CC1)NCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N4.2C2H2O4/c1-2-22-12-8-17(9-13-22)21-14-16-15-23(11-5-10-20)19-7-4-3-6-18(16)19;2*3-1(4)2(5)6/h3-4,6-7,15,17,21H,2,5,8-9,11-14H2,1H3;2*(H,3,4)(H,5,6)