5-chloranyl-2-[[(3-methyl-4-phenyl-phenyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[[(3-methyl-4-phenyl-phenyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-[(3-methyl-4-phenyl-anilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-[(3-methyl-4-phenylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-[(3-methyl-4-phenylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-[(3-methyl-4-phenyl-anilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCN2C(=O)C3CC=C(CC3C2=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NCN2C(=O)C3CC=C(CC3C2=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2/c1-14-11-17(8-10-18(14)15-5-3-2-4-6-15)24-13-25-21(26)19-9-7-16(23)12-20(19)22(25)27/h2-8,10-11,19-20,24H,9,12-13H2,1H3