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

Systemtic Name: 4-[1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-3-indolyl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 2-keto-1-(1-methylindol-3-yl)-5-[1-[3-(piperonylamino)propyl]indol-3-yl]-4-imidazoline-4-carbonitrile Formula: C32H28N6O3 MolecularWeight: 544.60312

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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)CCCNCC6=CC7=C(C=C6)OCO7

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCNCC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C32H28N6O3/c1-36-19-28(23-8-3-4-9-26(23)36)38-31(25(16-33)35-32(38)39)24-18-37(27-10-5-2-7-22(24)27)14-6-13-34-17-21-11-12-29-30(15-21)41-20-40-29/h2-5,7-12,15,18-19,34H,6,13-14,17,20H2,1H3,(H,35,39)