1-(butylamino)-3-methyl-isoquinoline-4-carbonitrile

Systemtic Name: 1-(butylamino)-3-methyl-isoquinoline-4-carbonitrile Openeye Name: 1-(butylamino)-3-methyl-isoquinoline-4-carbonitrile CAS Name: 1-(butylamino)-3-methyl-4-isoquinolinecarbonitrile IUPAC Name: 1-(butylamino)-3-methylisoquinoline-4-carbonitrile Traditional Name: 1-(butylamino)-3-methyl-isoquinoline-4-carbonitrile Formula: C15H17N3 MolecularWeight: 239.31558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(C2=CC=CC=C21)C#N)C

Isomeric SMILES

CCCCNC1=NC(=C(C2=CC=CC=C21)C#N)C

InChI

InChI=1S/C15H17N3/c1-3-4-9-17-15-13-8-6-5-7-12(13)14(10-16)11(2)18-15/h5-8H,3-4,9H2,1-2H3,(H,17,18)