4-[(E)-(5-methoxyindol-2-ylidene)methyl]-5-phenethyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-(5-methoxyindol-2-ylidene)methyl]-5-phenethyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(5-methoxyindol-2-ylidene)methyl]-5-phenethyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(5-methoxy-2-indolylidene)methyl]-5-phenethyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(5-methoxyindol-2-ylidene)methyl]-5-phenethyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(5-methoxyindol-2-ylidene)methyl]-5-phenethyl-3-pyrazolin-3-one Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CC3=C(NNC3=O)CCC4=CC=CC=C4)N=C2C=C1

Isomeric SMILES

COC1=CC2=C/C(=C\C3=C(NNC3=O)CCC4=CC=CC=C4)/N=C2C=C1

InChI

InChI=1S/C21H19N3O2/c1-26-17-8-10-19-15(12-17)11-16(22-19)13-18-20(23-24-21(18)25)9-7-14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H2,23,24,25)/b16-13+