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

Systemtic Name: ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N4O.C2H2O4/c1-2-29-23-8-4-3-7-21(23)22-16-19(9-10-24(22)29)18-27-12-14-28(15-13-27)25(30)20-6-5-11-26-17-20;3-1(4)2(5)6/h3-11,16-17H,2,12-15,18H2,1H3;(H,3,4)(H,5,6)