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

Systemtic Name: 2-azanyl-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-(4-chlorophenyl)anthranil-5-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)C1)C

InChI

InChI=1S/C25H20ClN3O3/c1-25(2)10-19(30)22-20(11-25)31-24(28)17(12-27)21(22)14-5-8-18-16(9-14)23(32-29-18)13-3-6-15(26)7-4-13/h3-9,21H,10-11,28H2,1-2H3