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

Systemtic Name: 4-[1-[2-(aminomethyl)-3-methyl-butyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-[2-(aminomethyl)-3-methyl-butyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-[2-(aminomethyl)-3-methylbutyl]-3-indolyl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-[2-(aminomethyl)-3-methylbutyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-[2-(aminomethyl)-3-methyl-butyl]indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)CN1C=C(C2=CC=CC=C21)C3=C(NC(=O)N3C4=CN(C5=CC=CC=C54)C)C#N

Isomeric SMILES

CC(C)C(CN)CN1C=C(C2=CC=CC=C21)C3=C(NC(=O)N3C4=CN(C5=CC=CC=C54)C)C#N

InChI

InChI=1S/C27H28N6O/c1-17(2)18(12-28)14-32-15-21(19-8-4-7-11-24(19)32)26-22(13-29)30-27(34)33(26)25-16-31(3)23-10-6-5-9-20(23)25/h4-11,15-18H,12,14,28H2,1-3H3,(H,30,34)