1-(1-azanyl-4-bromanyl-isoquinolin-6-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(1-azanyl-4-bromanyl-isoquinolin-6-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(1-amino-4-bromo-6-isoquinolyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(1-amino-4-bromo-6-isoquinolinyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(1-amino-4-bromoisoquinolin-6-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(1-amino-4-bromo-6-isoquinolyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C19H19BrN4O MolecularWeight: 399.28436

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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=C4Br)N

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC4=C(C=C3)C(=NC=C4Br)N

InChI

InChI=1S/C19H19BrN4O/c1-10-17-15(7-19(2,3)8-16(17)25)24(23-10)11-4-5-12-13(6-11)14(20)9-22-18(12)21/h4-6,9H,7-8H2,1-3H3,(H2,21,22)