5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate

Systemtic Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate CAS Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazololate IUPAC Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Traditional Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Formula: C16H18N3O- MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=NCCCCC2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C2=NCCCCC2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O/c1-12-15(14-10-6-3-7-11-17-14)16(20)19(18-12)13-8-4-2-5-9-13/h2,4-5,8-9,20H,3,6-7,10-11H2,1H3/p-1