N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C22H23N3O7/c1-28-17-9-12-8-14(25-19(12)21(30-3)20(17)29-2)22(27)23-7-6-18(26)24-13-4-5-15-16(10-13)32-11-31-15/h4-5,8-10,25H,6-7,11H2,1-3H3,(H,23,27)(H,24,26)