1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepin-8-one

Systemtic Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepin-8-one Openeye Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepin-8-one CAS Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepin-8-one IUPAC Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepin-8-one Traditional Name: 1-phenyl-4,5,6,7-tetrahydropyrazol[3,4-c]azepin-8-one Formula: C13H13N3O MolecularWeight: 227.26182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)NC1)N(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C(=O)NC1)N(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O/c17-13-12-10(5-4-8-14-13)9-15-16(12)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,14,17)