4-cyano-2-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-2-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-2-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-2-methyl-N-[4-(3-oxo-1-piperazinyl)phenyl]-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-2-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-N-[4-(3-ketopiperazino)phenyl]-2-methyl-5-pyrrol-1-yl-3-furamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H19N5O3/c1-14-19(17(12-22)21(29-14)25-9-2-3-10-25)20(28)24-15-4-6-16(7-5-15)26-11-8-23-18(27)13-26/h2-7,9-10H,8,11,13H2,1H3,(H,23,27)(H,24,28)