6-azanyl-4-(4-chloranyl-1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(4-chloranyl-1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-(p-tolyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-(p-tolyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=C(C5=C(C=C4)OCO5)Cl)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=C(C5=C(C=C4)OCO5)Cl)C(=N2)C

InChI

InChI=1S/C22H17ClN4O3/c1-11-3-5-13(6-4-11)27-22-17(12(2)26-27)18(15(9-24)21(25)30-22)14-7-8-16-20(19(14)23)29-10-28-16/h3-8,18H,10,25H2,1-2H3