4-[5-(5-azanyl-1-phenethyl-pyrazol-4-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(5-azanyl-1-phenethyl-pyrazol-4-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(5-amino-1-phenethyl-pyrazol-4-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(5-amino-1-phenethyl-4-pyrazolyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(5-amino-1-phenethylpyrazol-4-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(5-amino-1-phenethyl-pyrazol-4-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C19H18N6O MolecularWeight: 346.38582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C(C=N2)C3=NC(=C4C=CC(=O)C=C4)NN3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C(C=N2)C3=NC(=C4C=CC(=O)C=C4)NN3)N

InChI

InChI=1S/C19H18N6O/c20-17-16(12-21-25(17)11-10-13-4-2-1-3-5-13)19-22-18(23-24-19)14-6-8-15(26)9-7-14/h1-9,12,23H,10-11,20H2,(H,22,24)