2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]indene-1,3-dione Openeye Name: 2-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]indane-1,3-dione CAS Name: 2-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylidene]indene-1,3-dione IUPAC Name: 2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]indene-1,3-dione Traditional Name: 2-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]indane-1,3-quinone Formula: C21H15ClN2O2 MolecularWeight: 362.809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O2/c1-13-17(21(22)24(23-13)12-14-7-3-2-4-8-14)11-18-19(25)15-9-5-6-10-16(15)20(18)26/h2-11H,12H2,1H3