(4R)-2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4R)-2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4R)-2-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4R)-2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1[C@@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3/t18-/m0/s1