3-(1,3-benzodioxol-5-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(morpholinomethyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(4-morpholinylmethyl)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(morpholinomethyl)phenyl]-1H-pyrazole-5-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O4/c27-22(23-17-3-1-2-15(10-17)13-26-6-8-28-9-7-26)19-12-18(24-25-19)16-4-5-20-21(11-16)30-14-29-20/h1-5,10-12H,6-9,13-14H2,(H,23,27)(H,24,25)