ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-2-(methoxymethyl)-3-[(E)-2-phenylethenyl]-1H-isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-2-(methoxymethyl)-3-[(E)-2-phenylethenyl]-1H-isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-(methoxymethyl)-3-[(E)-styryl]-1H-isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-2-(methoxymethyl)-3-[(E)-2-phenylethenyl]-1H-isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-(methoxymethyl)-3-[(E)-2-phenylethenyl]-1H-isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-2-(methoxymethyl)-3-[(E)-styryl]-1H-isoquinoline; oxalic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2COC)C=CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2COC)/C=C/C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31N3O.C2H2O4/c1-3-26-15-17-27(18-16-26)25-24-12-8-7-11-22(24)19-23(28(25)20-29-2)14-13-21-9-5-4-6-10-21;3-1(4)2(5)6/h4-14,19,25H,3,15-18,20H2,1-2H3;(H,3,4)(H,5,6)/b14-13+;