2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H19ClN4O2 MolecularWeight: 442.89696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C25H19ClN4O2/c26-16-11-9-15(10-12-16)24-19(14-30(29-24)17-5-2-1-3-6-17)22-18(13-27)25(28)32-21-8-4-7-20(31)23(21)22/h1-3,5-6,9-12,14,22H,4,7-8,28H2