5-azanyl-4-(1-methylazepan-2-ylidene)-2-phenyl-pyrazol-3-one

Systemtic Name: 5-azanyl-4-(1-methylazepan-2-ylidene)-2-phenyl-pyrazol-3-one Openeye Name: 5-amino-4-(1-methylazepan-2-ylidene)-2-phenyl-pyrazol-3-one CAS Name: 5-amino-4-(1-methyl-2-azepanylidene)-2-phenyl-3-pyrazolone IUPAC Name: 5-amino-4-(1-methylazepan-2-ylidene)-2-phenylpyrazol-3-one Traditional Name: 5-amino-4-(1-methylazepan-2-ylidene)-2-phenyl-2-pyrazolin-3-one Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=C2C(=NN(C2=O)C3=CC=CC=C3)N

Isomeric SMILES

CN1CCCCCC1=C2C(=NN(C2=O)C3=CC=CC=C3)N

InChI

InChI=1S/C16H20N4O/c1-19-11-7-3-6-10-13(19)14-15(17)18-20(16(14)21)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,17,18)