ethanedioic acid; 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-2-phenyl-ethanone; oxalic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)CC4=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)CC4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29N3O.C2H2O4/c1-2-30-25-11-7-6-10-23(25)24-18-22(12-13-26(24)30)20-28-14-16-29(17-15-28)27(31)19-21-8-4-3-5-9-21;3-1(4)2(5)6/h3-13,18H,2,14-17,19-20H2,1H3;(H,3,4)(H,5,6)