N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxiran-2-ylcarbonylamino)pyrrole-2-carboxamide

Systemtic Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxiran-2-ylcarbonylamino)pyrrole-2-carboxamide Openeye Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxirane-2-carbonylamino)pyrrole-2-carboxamide CAS Name: N-[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[2-oxiranyl(oxo)methyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-(oxirane-2-carbonylamino)pyrrole-2-carboxamide Traditional Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxirane-2-carbonylamino)pyrrole-2-carboxamide Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CO3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CO3

InChI

InChI=1S/C20H28N6O4/c1-24(2)7-5-6-21-18(27)15-8-13(10-25(15)3)22-19(28)16-9-14(11-26(16)4)23-20(29)17-12-30-17/h8-11,17H,5-7,12H2,1-4H3,(H,21,27)(H,22,28)(H,23,29)