6-azanyl-1-(4-bromophenyl)-4-(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-1-(4-bromophenyl)-4-(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 4-(4-allyloxy-3-chloro-5-methoxy-phenyl)-6-amino-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-1-(4-bromophenyl)-4-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-1-(4-bromophenyl)-4-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 4-(4-allyloxy-3-chloro-5-methoxy-phenyl)-6-amino-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C24H20BrClN4O3 MolecularWeight: 527.7976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC=C)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC=C)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrClN4O3/c1-4-9-32-22-18(26)10-14(11-19(22)31-3)21-17(12-27)23(28)33-24-20(21)13(2)29-30(24)16-7-5-15(25)6-8-16/h4-8,10-11,23H,1,9,28H2,2-3H3