4-[(3Z)-3-(4-chloranylbenzimidazol-2-ylidene)-1-[(4-methoxyphenyl)methyl]-2H-indazol-5-yl]isoquinoline

Systemtic Name: 4-[(3Z)-3-(4-chloranylbenzimidazol-2-ylidene)-1-[(4-methoxyphenyl)methyl]-2H-indazol-5-yl]isoquinoline Openeye Name: 4-[(3Z)-3-(4-chlorobenzimidazol-2-ylidene)-1-[(4-methoxyphenyl)methyl]-2H-indazol-5-yl]isoquinoline CAS Name: 4-[(3Z)-3-(4-chloro-2-benzimidazolylidene)-1-[(4-methoxyphenyl)methyl]-2H-indazol-5-yl]isoquinoline IUPAC Name: 4-[(3Z)-3-(4-chlorobenzimidazol-2-ylidene)-1-[(4-methoxyphenyl)methyl]-2H-indazol-5-yl]isoquinoline Traditional Name: 4-[(3Z)-3-(4-chlorobenzimidazol-2-ylidene)-1-p-anisyl-indazolin-5-yl]isoquinoline Formula: C31H22ClN5O MolecularWeight: 515.99228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C4=CN=CC5=CC=CC=C54)C(=C6N=C7C=CC=C(C7=N6)Cl)N2

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C4=CN=CC5=CC=CC=C54)/C(=C/6\N=C7C=CC=C(C7=N6)Cl)/N2

InChI

InChI=1S/C31H22ClN5O/c1-38-22-12-9-19(10-13-22)18-37-28-14-11-20(25-17-33-16-21-5-2-3-6-23(21)25)15-24(28)29(36-37)31-34-27-8-4-7-26(32)30(27)35-31/h2-17,36H,18H2,1H3/b31-29-