2-azanyl-4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]indol-3-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]indol-3-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[1-[(2-chloro-6-fluoro-phenyl)methyl]indol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]-3-indolyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[1-(2-chloro-6-fluoro-benzyl)indol-3-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H23ClFN3O2 MolecularWeight: 475.941823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC5=C(C=CC=C5Cl)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC5=C(C=CC=C5Cl)F)C(=O)C1)C

InChI

InChI=1S/C27H23ClFN3O2/c1-27(2)10-22(33)25-23(11-27)34-26(31)16(12-30)24(25)17-13-32(21-9-4-3-6-15(17)21)14-18-19(28)7-5-8-20(18)29/h3-9,13,24H,10-11,14,31H2,1-2H3