5-[(5-cyano-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxidanylidenepiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide

Systemtic Name: 5-[(5-cyano-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxidanylidenepiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Openeye Name: 5-[(5-cyano-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide CAS Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxo-1-piperazinyl)ethyl]-1H-pyrrole-3-carboxamide IUPAC Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Traditional Name: 5-[(5-cyano-2-keto-indolin-1-ium-1-ylidene)methyl]-N-[2-(3-ketopiperazino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C23H25N6O3+ MolecularWeight: 433.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)C#N

InChI

InChI=1S/C23H24N6O3/c1-14-18(12-29-19-4-3-16(11-24)9-17(19)10-21(29)31)27-15(2)22(14)23(32)26-6-8-28-7-5-25-20(30)13-28/h3-4,9,12H,5-8,10,13H2,1-2H3,(H2,25,26,30,32)/p+1