5-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]-3-methyl-1-(phenylmethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]-3-methyl-1-(phenylmethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(2-acetyl-3-oxo-but-1-enyl)amino]-1-benzyl-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-[(2-acetyl-3-oxobut-1-enyl)amino]-3-methyl-1-(phenylmethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(2-acetyl-3-oxobut-1-enyl)amino]-1-benzyl-3-methylpyrazole-4-carbonitrile Traditional Name: 5-[(2-acetyl-3-keto-but-1-enyl)amino]-1-benzyl-3-methyl-pyrazole-4-carbonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)NC=C(C(=O)C)C(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C#N)NC=C(C(=O)C)C(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C18H18N4O2/c1-12-16(9-19)18(20-10-17(13(2)23)14(3)24)22(21-12)11-15-7-5-4-6-8-15/h4-8,10,20H,11H2,1-3H3