6-azanyl-3-butyl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-butyl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-butyl-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-butyl-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-butyl-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-butyl-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C18H17ClN4O3/c1-2-3-4-12-16-15(10(7-20)17(21)26-18(16)23-22-12)9-5-13-14(6-11(9)19)25-8-24-13/h5-6,15H,2-4,8,21H2,1H3,(H,22,23)