N-(1,3-benzodioxol-5-yl)-1-[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[5-cyclopropyl-1-(o-tolyl)pyrazole-4-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[5-cyclopropyl-1-(2-methylphenyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[5-cyclopropyl-1-(o-tolyl)pyrazole-4-carbonyl]isonipecotamide Formula: C27H28N4O4 MolecularWeight: 472.53562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C27H28N4O4/c1-17-4-2-3-5-22(17)31-25(18-6-7-18)21(15-28-31)27(33)30-12-10-19(11-13-30)26(32)29-20-8-9-23-24(14-20)35-16-34-23/h2-5,8-9,14-15,18-19H,6-7,10-13,16H2,1H3,(H,29,32)