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

Systemtic Name: 2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H23ClN4O2/c1-27(2)12-21(33)24-22(13-27)34-26(30)19(14-29)23(24)20-15-32(18-6-4-3-5-7-18)31-25(20)16-8-10-17(28)11-9-16/h3-11,15,23H,12-13,30H2,1-2H3