5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O4/c31-23(27-18-4-2-1-3-5-18)16-30-10-8-19(9-11-30)28-25(32)20-15-26-29-24(20)17-6-7-21-22(14-17)34-13-12-33-21/h1-7,14-15,19H,8-13,16H2,(H,26,29)(H,27,31)(H,28,32)