(4R)-2-azanyl-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4R)-2-amino-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4R)-2-amino-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-2-amino-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4R)-2-amino-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(OC4=C3C(=O)CCC4)N)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N

InChI

InChI=1S/C21H20N4O2/c1-12-18(13(2)25(24-12)14-7-4-3-5-8-14)19-15(11-22)21(23)27-17-10-6-9-16(26)20(17)19/h3-5,7-8,19H,6,9-10,23H2,1-2H3/t19-/m0/s1