N-[3-(1H-benzimidazol-2-ylamino)-3-oxidanylidene-propyl]-4,7-dimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-ylamino)-3-oxidanylidene-propyl]-4,7-dimethoxy-1H-indole-2-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-ylamino)-3-oxo-propyl]-4,7-dimethoxy-1H-indole-2-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-4,7-dimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-4,7-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-ylamino)-3-keto-propyl]-4,7-dimethoxy-1H-indole-2-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O4/c1-29-16-7-8-17(30-2)19-12(16)11-15(23-19)20(28)22-10-9-18(27)26-21-24-13-5-3-4-6-14(13)25-21/h3-8,11,23H,9-10H2,1-2H3,(H,22,28)(H2,24,25,26,27)