1-tert-butyl-2-cyano-1-(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)guanidine

Systemtic Name: 1-tert-butyl-2-cyano-1-(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)guanidine Openeye Name: 1-tert-butyl-2-cyano-1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)guanidine CAS Name: 1-tert-butyl-2-cyano-1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)guanidine IUPAC Name: 1-tert-butyl-2-cyano-1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)guanidine Traditional Name: 1-tert-butyl-2-cyano-1-(1-keto-2-methyl-3,4-dihydroisoquinolin-6-yl)guanidine Formula: C16H21N5O MolecularWeight: 299.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1=CC2=C(C=C1)C(=O)N(CC2)C)C(=NC#N)N

Isomeric SMILES

CC(C)(C)N(C1=CC2=C(C=C1)C(=O)N(CC2)C)C(=NC#N)N

InChI

InChI=1S/C16H21N5O/c1-16(2,3)21(15(18)19-10-17)12-5-6-13-11(9-12)7-8-20(4)14(13)22/h5-6,9H,7-8H2,1-4H3,(H2,18,19)