4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide

Systemtic Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide Openeye Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide CAS Name: 4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide IUPAC Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide Traditional Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butyramide Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=N5

InChI

InChI=1S/C25H22N4O5/c1-15-8-9-18-17(11-15)16(25(28-18)19-6-2-3-10-26-19)5-4-7-24(30)27-20-12-22-23(34-14-33-22)13-21(20)29(31)32/h2-3,6,8-13,28H,4-5,7,14H2,1H3,(H,27,30)