4-(1-cyano-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline-1-carbonitrile

Systemtic Name: 4-(1-cyano-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline-1-carbonitrile Openeye Name: 4-(2-acetyl-1-cyano-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline-1-carbonitrile CAS Name: 4-(2-acetyl-1-cyano-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)-1-isoquinolinecarbonitrile IUPAC Name: 4-(2-acetyl-1-cyano-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline-1-carbonitrile Traditional Name: 4-(2-acetyl-1-cyano-3-methoxy-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline-1-carbonitrile Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=CC=CC=C2C(C1OC)C3=CN=C(C4=CC=CC=C43)C#N)C#N

Isomeric SMILES

CC(=O)N1C(C2=CC=CC=C2C(C1OC)C3=CN=C(C4=CC=CC=C43)C#N)C#N

InChI

InChI=1S/C23H18N4O2/c1-14(28)27-21(12-25)17-9-5-6-10-18(17)22(23(27)29-2)19-13-26-20(11-24)16-8-4-3-7-15(16)19/h3-10,13,21-23H,1-2H3