N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[[1-(p-tolylmethyl)pyrrolidin-3-yl]methyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[[1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]methyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[[1-(4-methylbenzyl)pyrrolidin-3-yl]methyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(C2)CNC(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(C2)CNC(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C27H33N5OS/c1-20-4-6-21(7-5-20)18-31-13-10-22(19-31)17-28-27(33)23-11-14-32(15-12-23)26-9-8-24(29-30-26)25-3-2-16-34-25/h2-9,16,22-23H,10-15,17-19H2,1H3,(H,28,33)