(4S)-6-azanyl-3-tert-butyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-3-tert-butyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-3-tert-butyl-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-3-tert-butyl-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-3-tert-butyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-3-tert-butyl-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1[C@H]2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN6O/c1-11-14(18(22)28(27-11)12-8-6-5-7-9-12)15-13(10-23)19(24)29-20-16(15)17(25-26-20)21(2,3)4/h5-9,15H,24H2,1-4H3,(H,25,26)/t15-/m1/s1