2-azanyl-4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-ethyl-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]-7-ethyl-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]-7-ethyl-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]-7-ethyl-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]-7-ethylindol-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)-7-ethyl-indol-3-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C29H27ClFN3O2 MolecularWeight: 503.994983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C29H27ClFN3O2/c1-4-16-7-5-8-17-19(14-34(27(16)17)15-20-21(30)9-6-10-22(20)31)25-18(13-32)28(33)36-24-12-29(2,3)11-23(35)26(24)25/h5-10,14,25H,4,11-12,15,33H2,1-3H3