4-[(E)-(5-methyl-3-propan-2-yl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-(5-methyl-3-propan-2-yl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(3-isopropyl-5-methyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(5-methyl-3-propan-2-yl-2-pyrrolylidene)methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(5-methyl-3-propan-2-ylpyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(3-isopropyl-5-methyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CN=C3)C(=C1)C(C)C

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CN=C3)/C(=C1)C(C)C

InChI

InChI=1S/C16H17N5O/c1-9(2)11-6-10(3)19-13(11)7-12-15(20-21-16(12)22)14-8-17-4-5-18-14/h4-9H,1-3H3,(H2,20,21,22)/b13-7+