(2S)-2-[4-(3-azanylidene-1,4-dihydroisoquinolin-2-yl)phenyl]propanenitrile

Systemtic Name: (2S)-2-[4-(3-azanylidene-1,4-dihydroisoquinolin-2-yl)phenyl]propanenitrile Openeye Name: (2S)-2-[4-(3-imino-1,4-dihydroisoquinolin-2-yl)phenyl]propanenitrile CAS Name: (2S)-2-[4-(3-imino-1,4-dihydroisoquinolin-2-yl)phenyl]propanenitrile IUPAC Name: (2S)-2-[4-(3-imino-1,4-dihydroisoquinolin-2-yl)phenyl]propanenitrile Traditional Name: (2S)-2-[4-(3-imino-1,4-dihydroisoquinolin-2-yl)phenyl]propionitrile Formula: C18H17N3 MolecularWeight: 275.34768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=C(C=C1)N2CC3=CC=CC=C3CC2=N

Isomeric SMILES

C[C@H](C#N)C1=CC=C(C=C1)N2CC3=CC=CC=C3CC2=N

InChI

InChI=1S/C18H17N3/c1-13(11-19)14-6-8-17(9-7-14)21-12-16-5-3-2-4-15(16)10-18(21)20/h2-9,13,20H,10,12H2,1H3/t13-/m1/s1