(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-oxidanylidenepiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-oxidanylidenepiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-oxopiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[oxo-(3-oxo-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(3-oxopiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-ketopiperazine-1-carbonyl)acrylonitrile Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H20N4O2/c1-11-7-13(12(2)21(11)15-3-4-15)8-14(9-18)17(23)20-6-5-19-16(22)10-20/h7-8,15H,3-6,10H2,1-2H3,(H,19,22)/b14-8+