N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-ethyl-propanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-ethyl-propanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-ethyl-propanamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-ethylpropanamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-ethyl-propionamide Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O4/c1-4-29(17-25(31)27-20-10-12-23-24(16-20)34-15-14-33-23)26(32)13-11-22-18(2)28-30(19(22)3)21-8-6-5-7-9-21/h5-10,12,16H,4,11,13-15,17H2,1-3H3,(H,27,31)