2-[3,3-bis(1H-imidazol-5-ylmethyl)-7-methyl-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-indol-6-yl]benzenecarbonitrile

Systemtic Name: 2-[3,3-bis(1H-imidazol-5-ylmethyl)-7-methyl-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-indol-6-yl]benzenecarbonitrile Openeye Name: 2-[3,3-bis(1H-imidazol-5-ylmethyl)-7-methyl-1-(1-naphthylmethyl)-2-oxo-indolin-6-yl]benzonitrile CAS Name: 2-[3,3-bis(1H-imidazol-5-ylmethyl)-7-methyl-1-(1-naphthalenylmethyl)-2-oxo-6-indolyl]benzonitrile IUPAC Name: 2-[3,3-bis(1H-imidazol-5-ylmethyl)-7-methyl-1-(naphthalen-1-ylmethyl)-2-oxoindol-6-yl]benzonitrile Traditional Name: 2-[3,3-bis(1H-imidazol-5-ylmethyl)-2-keto-7-methyl-1-(1-naphthylmethyl)indolin-6-yl]benzonitrile Formula: C35H28N6O MolecularWeight: 548.63642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=O)C2(CC3=CN=CN3)CC4=CN=CN4)CC5=CC=CC6=CC=CC=C65)C7=CC=CC=C7C#N

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=O)C2(CC3=CN=CN3)CC4=CN=CN4)CC5=CC=CC6=CC=CC=C65)C7=CC=CC=C7C#N

InChI

InChI=1S/C35H28N6O/c1-23-29(31-12-5-3-8-25(31)17-36)13-14-32-33(23)41(20-26-10-6-9-24-7-2-4-11-30(24)26)34(42)35(32,15-27-18-37-21-39-27)16-28-19-38-22-40-28/h2-14,18-19,21-22H,15-16,20H2,1H3,(H,37,39)(H,38,40)