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

Systemtic Name: (4S)-2-azanyl-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H25BrN4O2 MolecularWeight: 529.4277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1)C

InChI

InChI=1S/C28H25BrN4O2/c1-28(2)12-22(34)25-23(13-28)35-27(31)20(14-30)24(25)21-16-33(15-17-8-10-19(29)11-9-17)32-26(21)18-6-4-3-5-7-18/h3-11,16,24H,12-13,15,31H2,1-2H3/t24-/m1/s1