4-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-[[3-(aminomethyl)phenyl]methyl]-3-indolyl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-[3-(aminomethyl)benzyl]indol-3-yl]-1-(1H-indol-3-yl)-2-keto-4-imidazoline-4-carbonitrile Formula: C28H22N6O MolecularWeight: 458.51388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)CN

InChI

InChI=1S/C28H22N6O/c29-13-18-6-5-7-19(12-18)16-33-17-22(20-8-2-4-11-25(20)33)27-24(14-30)32-28(35)34(27)26-15-31-23-10-3-1-9-21(23)26/h1-12,15,17,31H,13,16,29H2,(H,32,35)