4-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H27BrN4O3 MolecularWeight: 463.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H27BrN4O3/c1-25(2)12-4-11-23-21(29)18-13-17(14-26(18)3)24-20(28)10-9-19(27)15-5-7-16(22)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,29)(H,24,28)