1-[4-(2-aminocarbonylpyrrol-1-yl)-7-azanyl-1,4-bis(dimethylamino)-1-oxidanylidene-heptan-2-yl]pyrrole-2-carboxamide

Systemtic Name: 1-[4-(2-aminocarbonylpyrrol-1-yl)-7-azanyl-1,4-bis(dimethylamino)-1-oxidanylidene-heptan-2-yl]pyrrole-2-carboxamide Openeye Name: 1-[6-amino-3-(2-carbamoylpyrrol-1-yl)-3-(dimethylamino)-1-(dimethylcarbamoyl)hexyl]pyrrole-2-carboxamide CAS Name: 1-[7-amino-4-(2-carbamoyl-1-pyrrolyl)-1,4-bis(dimethylamino)-1-oxoheptan-2-yl]-2-pyrrolecarboxamide IUPAC Name: 1-[7-amino-4-(2-carbamoylpyrrol-1-yl)-1,4-bis(dimethylamino)-1-oxoheptan-2-yl]pyrrole-2-carboxamide Traditional Name: 1-[6-amino-3-(2-carbamoylpyrrol-1-yl)-3-(dimethylamino)-1-(dimethylcarbamoyl)hexyl]pyrrole-2-carboxamide Formula: C21H33N7O3 MolecularWeight: 431.53182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC(CCCN)(N1C=CC=C1C(=O)N)N(C)C)N2C=CC=C2C(=O)N

Isomeric SMILES

CN(C)C(=O)C(CC(CCCN)(N1C=CC=C1C(=O)N)N(C)C)N2C=CC=C2C(=O)N

InChI

InChI=1S/C21H33N7O3/c1-25(2)20(31)17(27-12-5-8-15(27)18(23)29)14-21(26(3)4,10-7-11-22)28-13-6-9-16(28)19(24)30/h5-6,8-9,12-13,17H,7,10-11,14,22H2,1-4H3,(H2,23,29)(H2,24,30)