4-[1-[3-(4-azanylbutylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[1-[3-(4-azanylbutylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-[3-(4-aminobutylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-[3-(4-aminobutylamino)propyl]-3-indolyl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-[3-(4-aminobutylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-[3-(4-aminobutylamino)propyl]indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C28H31N7O MolecularWeight: 481.59204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCNCCCCN

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCNCCCCN

InChI

InChI=1S/C28H31N7O/c1-33-19-26(21-10-3-4-11-24(21)33)35-27(23(17-30)32-28(35)36)22-18-34(25-12-5-2-9-20(22)25)16-8-15-31-14-7-6-13-29/h2-5,9-12,18-19,31H,6-8,13-16,29H2,1H3,(H,32,36)