4-[(E)-2-[(3Z)-3-(5-methoxybenzimidazol-2-ylidene)-1,2-dihydropyrazol-4-yl]ethenyl]isoquinoline

Systemtic Name: 4-[(E)-2-[(3Z)-3-(5-methoxybenzimidazol-2-ylidene)-1,2-dihydropyrazol-4-yl]ethenyl]isoquinoline Openeye Name: 4-[(E)-2-[(3Z)-3-(5-methoxybenzimidazol-2-ylidene)-1,2-dihydropyrazol-4-yl]vinyl]isoquinoline CAS Name: 4-[(E)-2-[(3Z)-3-(5-methoxy-2-benzimidazolylidene)-1,2-dihydropyrazol-4-yl]ethenyl]isoquinoline IUPAC Name: 4-[(E)-2-[(3Z)-3-(5-methoxybenzimidazol-2-ylidene)-1,2-dihydropyrazol-4-yl]ethenyl]isoquinoline Traditional Name: 4-[(E)-2-[(3Z)-3-(5-methoxybenzimidazol-2-ylidene)-3-pyrazolin-4-yl]vinyl]isoquinoline Formula: C22H17N5O MolecularWeight: 367.40328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C3C(=CNN3)C=CC4=CN=CC5=CC=CC=C54)N=C2C=C1

Isomeric SMILES

COC1=CC2=N/C(=C\3/C(=CNN3)/C=C/C4=CN=CC5=CC=CC=C54)/N=C2C=C1

InChI

InChI=1S/C22H17N5O/c1-28-17-8-9-19-20(10-17)26-22(25-19)21-16(13-24-27-21)7-6-15-12-23-11-14-4-2-3-5-18(14)15/h2-13,24,27H,1H3/b7-6+,22-21-