2-propanoyl-1-propan-2-yl-isoquinoline-1-carbonitrile

Systemtic Name: 2-propanoyl-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 1-isopropyl-2-propanoyl-isoquinoline-1-carbonitrile CAS Name: 2-(1-oxopropyl)-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 2-propanoyl-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 1-isopropyl-2-propionyl-isoquinoline-1-carbonitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C=CC2=CC=CC=C2C1(C#N)C(C)C

Isomeric SMILES

CCC(=O)N1C=CC2=CC=CC=C2C1(C#N)C(C)C

InChI

InChI=1S/C16H18N2O/c1-4-15(19)18-10-9-13-7-5-6-8-14(13)16(18,11-17)12(2)3/h5-10,12H,4H2,1-3H3