4-[(E)-[4-(aminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[4-(aminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(aminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(aminomethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(aminomethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(aminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-cyclopropyl-3-pyrazolin-3-one Formula: C14H18N4O MolecularWeight: 258.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3CC3)C)CN

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3CC3)C)CN

InChI

InChI=1S/C14H18N4O/c1-7-11(6-15)8(2)16-12(7)5-10-13(9-3-4-9)17-18-14(10)19/h5,9H,3-4,6,15H2,1-2H3,(H2,17,18,19)/b12-5+