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

Systemtic Name: 5-azanyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Openeye Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate CAS Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazololate IUPAC Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Traditional Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Formula: C15H17N4O- MolecularWeight: 269.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C(N(N=C2N)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(=NCC1)C2=C(N(N=C2N)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H18N4O/c16-14-13(12-9-5-2-6-10-17-12)15(20)19(18-14)11-7-3-1-4-8-11/h1,3-4,7-8,20H,2,5-6,9-10H2,(H2,16,18)/p-1