ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-phenyl-methanone; oxalic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27N3O.C2H2O4/c1-2-29-24-11-7-6-10-22(24)23-18-20(12-13-25(23)29)19-27-14-16-28(17-15-27)26(30)21-8-4-3-5-9-21;3-1(4)2(5)6/h3-13,18H,2,14-17,19H2,1H3;(H,3,4)(H,5,6)