2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4H-pyrazol-3-one

Systemtic Name: 2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4H-pyrazol-3-one Openeye Name: 2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4H-pyrazol-3-one CAS Name: 2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4H-pyrazol-3-one IUPAC Name: 2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4H-pyrazol-3-one Traditional Name: 2-phenyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-2-pyrazolin-3-one Formula: C15H18N4O MolecularWeight: 270.32962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O/c20-15-11-14(17-13-9-5-2-6-10-16-13)18-19(15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17,18)