1-[4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide

Systemtic Name: 1-[4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide Openeye Name: 1-[1-hydroxy-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]butyl]imidazole-4-carboxamide CAS Name: 1-[1-hydroxy-4-[6-[[3-(1-methyl-2-benzimidazolyl)-1-oxopropyl]amino]-1-indolyl]butyl]-4-imidazolecarboxamide IUPAC Name: 1-[1-hydroxy-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]butyl]imidazole-4-carboxamide Traditional Name: 1-[1-hydroxy-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]butyl]imidazole-4-carboxamide Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CCC(=O)NC3=CC4=C(C=C3)C=CN4CCCC(N5C=C(N=C5)C(=O)N)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CCC(=O)NC3=CC4=C(C=C3)C=CN4CCCC(N5C=C(N=C5)C(=O)N)O

InChI

InChI=1S/C27H29N7O3/c1-32-22-6-3-2-5-20(22)31-24(32)10-11-25(35)30-19-9-8-18-12-14-33(23(18)15-19)13-4-7-26(36)34-16-21(27(28)37)29-17-34/h2-3,5-6,8-9,12,14-17,26,36H,4,7,10-11,13H2,1H3,(H2,28,37)(H,30,35)