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

Systemtic Name: 6-azanyl-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H15ClN4O3/c1-11-18-19(12-5-6-16-17(7-12)28-10-27-16)15(9-23)20(24)29-21(18)26(25-11)14-4-2-3-13(22)8-14/h2-8,19H,10,24H2,1H3