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

Systemtic Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-indol-6-yl]benzenecarbonitrile Openeye Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-1-(1-naphthylmethyl)-2-oxo-indolin-6-yl]benzonitrile CAS Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-1-(1-naphthalenylmethyl)-2-oxo-6-indolyl]benzonitrile IUPAC Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-1-(naphthalen-1-ylmethyl)-2-oxoindol-6-yl]benzonitrile Traditional Name: 4-[3,3-bis(1H-imidazol-5-ylmethyl)-2-keto-1-(1-naphthylmethyl)indolin-6-yl]benzonitrile Formula: C34H26N6O MolecularWeight: 534.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=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=C2CN3C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)C(C3=O)(CC6=CN=CN6)CC7=CN=CN7

InChI

InChI=1S/C34H26N6O/c35-17-23-8-10-24(11-9-23)26-12-13-31-32(14-26)40(20-27-6-3-5-25-4-1-2-7-30(25)27)33(41)34(31,15-28-18-36-21-38-28)16-29-19-37-22-39-29/h1-14,18-19,21-22H,15-16,20H2,(H,36,38)(H,37,39)