N-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-fluoranyl-phenyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-fluoranyl-phenyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)-3-fluoro-phenyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[4-[4-(diphenylmethyl)-1-piperazinyl]-3-fluorophenyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)-3-fluorophenyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[4-(4-benzhydrylpiperazino)-3-fluoro-phenyl]-1-methyl-pyrrole-2-carboxamide Formula: C29H29FN4O MolecularWeight: 468.565163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)F

Isomeric SMILES

CN1C=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C29H29FN4O/c1-32-16-8-13-27(32)29(35)31-24-14-15-26(25(30)21-24)33-17-19-34(20-18-33)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-16,21,28H,17-20H2,1H3,(H,31,35)