6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-carbonitrile

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-carbonitrile Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-carbonitrile CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinecarbonitrile IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]isoquinoline-5-carbonitrile Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-carbonitrile Formula: C19H17N3 MolecularWeight: 287.35838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3/c1-19(2,21)15-6-3-13(4-7-15)16-8-5-14-12-22-10-9-17(14)18(16)11-20/h3-10,12H,21H2,1-2H3