1-azanyl-6-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)isoquinoline-4-carbonitrile

Systemtic Name: 1-azanyl-6-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)isoquinoline-4-carbonitrile Openeye Name: 1-amino-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)isoquinoline-4-carbonitrile CAS Name: 1-amino-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-4-isoquinolinecarbonitrile IUPAC Name: 1-amino-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)isoquinoline-4-carbonitrile Traditional Name: 1-amino-6-(4-keto-3,6,6-trimethyl-5,7-dihydroindazol-1-yl)isoquinoline-4-carbonitrile Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC4=C(C=C3)C(=NC=C4C#N)N

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC4=C(C=C3)C(=NC=C4C#N)N

InChI

InChI=1S/C20H19N5O/c1-11-18-16(7-20(2,3)8-17(18)26)25(24-11)13-4-5-14-15(6-13)12(9-21)10-23-19(14)22/h4-6,10H,7-8H2,1-3H3,(H2,22,23)