1-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 1-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)N4C=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)N4C=CC=C4

InChI

InChI=1S/C18H19N7O2/c1-23-18(24-7-2-3-8-24)14(11-21-23)17(27)22-13-4-5-15(20-10-13)25-9-6-19-16(26)12-25/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,19,26)(H,22,27)