4-acetamido-N-[5-[(3-imidazol-1-yl-3-oxidanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide

Systemtic Name: 4-acetamido-N-[5-[(3-imidazol-1-yl-3-oxidanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide Openeye Name: 4-acetamido-N-[5-[(3-imidazol-1-yl-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide CAS Name: 4-acetamido-N-[5-[[[3-(1-imidazolyl)-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-imidazolecarboxamide IUPAC Name: 4-acetamido-N-[5-[(3-imidazol-1-yl-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide Traditional Name: 4-acetamido-N-[5-[(3-imidazol-1-yl-3-keto-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide Formula: C19H22N8O4 MolecularWeight: 426.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=N1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)N3C=CN=C3)C)C

Isomeric SMILES

CC(=O)NC1=CN(C(=N1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)N3C=CN=C3)C)C

InChI

InChI=1S/C19H22N8O4/c1-12(28)22-15-10-26(3)17(24-15)19(31)23-13-8-14(25(2)9-13)18(30)21-5-4-16(29)27-7-6-20-11-27/h6-11H,4-5H2,1-3H3,(H,21,30)(H,22,28)(H,23,31)