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

Systemtic Name: 6-azanyl-4-(2-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile hydrate Openeye Name: 6-amino-4-(2-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile hydrate CAS Name: 6-amino-4-(2-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile hydrate IUPAC Name: 6-amino-4-(2-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile hydrate Traditional Name: 6-amino-4-(2-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile hydrate Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C4=CC=CC=C4.O

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C4=CC=CC=C4.O

InChI

InChI=1S/C20H15ClN4O.H2O/c1-12-17-18(14-9-5-6-10-16(14)21)15(11-22)19(23)26-20(17)25(24-12)13-7-3-2-4-8-13;/h2-10,18H,23H2,1H3;1H2