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

Systemtic Name: 3-[bis(phenylmethyl)amino]-1-(4-butylphenyl)-4-chloranyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-(dibenzylamino)pyrrole-2,5-dione CAS Name: 3-[bis(phenylmethyl)amino]-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-(dibenzylamino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-(dibenzylamino)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O2 MolecularWeight: 458.97918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H27ClN2O2/c1-2-3-10-21-15-17-24(18-16-21)31-27(32)25(29)26(28(31)33)30(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-9,11-18H,2-3,10,19-20H2,1H3