7,7-dimethyl-1-phenyl-5-(phenylmethyl)-8H-pyrazolo[4,3-c]azepine-4,6-dione

Systemtic Name: 7,7-dimethyl-1-phenyl-5-(phenylmethyl)-8H-pyrazolo[4,3-c]azepine-4,6-dione Openeye Name: 5-benzyl-7,7-dimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione CAS Name: 7,7-dimethyl-1-phenyl-5-(phenylmethyl)-8H-pyrazolo[4,3-c]azepine-4,6-dione IUPAC Name: 5-benzyl-7,7-dimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione Traditional Name: 5-benzyl-7,7-dimethyl-1-phenyl-8H-pyrazol[4,3-c]azepine-4,6-quinone Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=NN2C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C=NN2C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3O2/c1-22(2)13-19-18(14-23-25(19)17-11-7-4-8-12-17)20(26)24(21(22)27)15-16-9-5-3-6-10-16/h3-12,14H,13,15H2,1-2H3