4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-oxidanylidene-1-(quinolin-4-ylmethyl)indol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-oxidanylidene-1-(quinolin-4-ylmethyl)indol-6-yl]benzenecarbonitrile Openeye Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-oxo-1-(4-quinolylmethyl)indolin-6-yl]benzonitrile CAS Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-oxo-1-(4-quinolinylmethyl)-6-indolyl]benzonitrile IUPAC Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-oxo-1-(quinolin-4-ylmethyl)indol-6-yl]benzonitrile Traditional Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-keto-1-(4-quinolylmethyl)indolin-6-yl]benzonitrile Formula: C33H25N7O MolecularWeight: 535.5979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)CN3C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)C(C3=O)(CC6=CN=CN6)CC7=CN=CN7

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)CN3C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)C(C3=O)(CC6=CN=CN6)CC7=CN=CN7

InChI

InChI=1S/C33H25N7O/c34-16-22-5-7-23(8-6-22)24-9-10-29-31(13-24)40(19-25-11-12-37-30-4-2-1-3-28(25)30)32(41)33(29,14-26-17-35-20-38-26)15-27-18-36-21-39-27/h1-13,17-18,20-21H,14-15,19H2,(H,35,38)(H,36,39)