3-[3-(6-azanyl-2,5,8-trimethyl-4-oxidanylidene-pyrazolo[3,4-e][1,3]diazepin-8-yl)phenyl]benzenecarbonitrile

Systemtic Name: 3-[3-(6-azanyl-2,5,8-trimethyl-4-oxidanylidene-pyrazolo[3,4-e][1,3]diazepin-8-yl)phenyl]benzenecarbonitrile Openeye Name: 3-[3-(6-amino-2,5,8-trimethyl-4-oxo-pyrazolo[3,4-e][1,3]diazepin-8-yl)phenyl]benzonitrile CAS Name: 3-[3-(6-amino-2,5,8-trimethyl-4-oxo-8-pyrazolo[3,4-e][1,3]diazepinyl)phenyl]benzonitrile IUPAC Name: 3-[3-(6-amino-2,5,8-trimethyl-4-oxopyrazolo[3,4-e][1,3]diazepin-8-yl)phenyl]benzonitrile Traditional Name: 3-[3-(6-amino-4-keto-2,5,8-trimethyl-pyrazolo[3,4-e][1,3]diazepin-8-yl)phenyl]benzonitrile Formula: C22H20N6O MolecularWeight: 384.4338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=NN(C=C2C(=O)N(C(=N1)N)C)C)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1(C2=NN(C=C2C(=O)N(C(=N1)N)C)C)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H20N6O/c1-22(19-18(13-27(2)26-19)20(29)28(3)21(24)25-22)17-9-5-8-16(11-17)15-7-4-6-14(10-15)12-23/h4-11,13H,1-3H3,(H2,24,25)