2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-isocyano-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23ClN4O2/c1-27(2)13-20(33)23-21(14-27)34-26(29)25(30-3)22(23)19-15-32(18-7-5-4-6-8-18)31-24(19)16-9-11-17(28)12-10-16/h4-12,15,22H,13-14,29H2,1-2H3