N-butyl-N-methyl-1-[2-[[2-(2-pyrazol-1-ylethanoyl)isoindol-5-yl]carbamoyl]phenyl]piperidine-4-carboxamide

Systemtic Name: N-butyl-N-methyl-1-[2-[[2-(2-pyrazol-1-ylethanoyl)isoindol-5-yl]carbamoyl]phenyl]piperidine-4-carboxamide Openeye Name: N-butyl-N-methyl-1-[2-[[2-(2-pyrazol-1-ylacetyl)isoindol-5-yl]carbamoyl]phenyl]piperidine-4-carboxamide CAS Name: N-butyl-N-methyl-1-[2-[oxo-[[2-[1-oxo-2-(1-pyrazolyl)ethyl]-5-isoindolyl]amino]methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-butyl-N-methyl-1-[2-[[2-(2-pyrazol-1-ylacetyl)isoindol-5-yl]carbamoyl]phenyl]piperidine-4-carboxamide Traditional Name: N-butyl-N-methyl-1-[2-[[2-(2-pyrazol-1-ylacetyl)isoindol-5-yl]carbamoyl]phenyl]isonipecotamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCN(CC1)C2=CC=CC=C2C(=O)NC3=CC4=CN(C=C4C=C3)C(=O)CN5C=CC=N5

Isomeric SMILES

CCCCN(C)C(=O)C1CCN(CC1)C2=CC=CC=C2C(=O)NC3=CC4=CN(C=C4C=C3)C(=O)CN5C=CC=N5

InChI

InChI=1S/C31H36N6O3/c1-3-4-15-34(2)31(40)23-12-17-35(18-13-23)28-9-6-5-8-27(28)30(39)33-26-11-10-24-20-36(21-25(24)19-26)29(38)22-37-16-7-14-32-37/h5-11,14,16,19-21,23H,3-4,12-13,15,17-18,22H2,1-2H3,(H,33,39)