3-chloranyl-4-[cyclohexyl(methyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[cyclohexyl(methyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[cyclohexyl(methyl)amino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[cyclohexyl(methyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[cyclohexyl(methyl)amino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[cyclohexyl(methyl)amino]-3-pyrroline-2,5-quinone Formula: C18H21ClN2O2 MolecularWeight: 332.82454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-20(14-10-6-3-7-11-14)16-15(19)17(22)21(18(16)23)12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3