1-(5-azanyl-3-tert-butyl-pyrazol-1-yl)isoquinoline-4-carbonitrile

Systemtic Name: 1-(5-azanyl-3-tert-butyl-pyrazol-1-yl)isoquinoline-4-carbonitrile Openeye Name: 1-(5-amino-3-tert-butyl-pyrazol-1-yl)isoquinoline-4-carbonitrile CAS Name: 1-(5-amino-3-tert-butyl-1-pyrazolyl)-4-isoquinolinecarbonitrile IUPAC Name: 1-(5-amino-3-tert-butylpyrazol-1-yl)isoquinoline-4-carbonitrile Traditional Name: 1-(5-amino-3-tert-butyl-pyrazol-1-yl)isoquinoline-4-carbonitrile Formula: C17H17N5 MolecularWeight: 291.35038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N)C2=NC=C(C3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N)C2=NC=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C17H17N5/c1-17(2,3)14-8-15(19)22(21-14)16-13-7-5-4-6-12(13)11(9-18)10-20-16/h4-8,10H,19H2,1-3H3