4-[(2Z)-2-(7-azanyl-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-(7-azanyl-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-(7-amino-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile CAS Name: 4-[(2Z)-2-(7-amino-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-(7-amino-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-(7-amino-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C3=CC=C(C=C3)C#N)N1)N)Cl)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/N1)N)Cl)C

InChI

InChI=1S/C20H18ClN3O/c1-20(2)10-14-7-16(21)17(23)8-15(14)18(24-20)9-19(25)13-5-3-12(11-22)4-6-13/h3-9,24H,10,23H2,1-2H3/b18-9-