(1S)-2-(3-phenylpropanoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-(3-phenylpropanoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-(3-phenylpropanoyl)-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-(1-oxo-3-phenylpropyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-(3-phenylpropanoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-hydrocinnamoyl-1H-isoquinoline-1-carbonitrile Formula: C19H16N2O MolecularWeight: 288.34314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C=CC3=CC=CC=C3[C@H]2C#N

InChI

InChI=1S/C19H16N2O/c20-14-18-17-9-5-4-8-16(17)12-13-21(18)19(22)11-10-15-6-2-1-3-7-15/h1-9,12-13,18H,10-11H2/t18-/m1/s1