3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-methyl-piperidin-4-one

Systemtic Name: 3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-methyl-piperidin-4-one Openeye Name: 3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-piperidin-4-one CAS Name: 3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-methyl-4-piperidinone IUPAC Name: 3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methylpiperidin-4-one Traditional Name: 3,5-bis[[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-4-piperidone Formula: C36H41N3O MolecularWeight: 531.73024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=C3CN(CC(=CC4=C(N(C(=C4)C)C5=C(C=C(C=C5)C)C)C)C3=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=C3CN(CC(=CC4=C(N(C(=C4)C)C5=C(C=C(C=C5)C)C)C)C3=O)C)C)C

InChI

InChI=1S/C36H41N3O/c1-22-10-12-34(24(3)14-22)38-26(5)16-30(28(38)7)18-32-20-37(9)21-33(36(32)40)19-31-17-27(6)39(29(31)8)35-13-11-23(2)15-25(35)4/h10-19H,20-21H2,1-9H3