3-[[1-(4-butylphenyl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]-N-cyclohexyl-benzamide

Systemtic Name: 3-[[1-(4-butylphenyl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]-N-cyclohexyl-benzamide Openeye Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxo-pyrrol-3-yl]amino]-N-cyclohexyl-benzamide CAS Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxo-3-pyrrolyl]amino]-N-cyclohexylbenzamide IUPAC Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxopyrrol-3-yl]amino]-N-cyclohexylbenzamide Traditional Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-diketo-3-pyrrolin-3-yl]amino]-N-cyclohexyl-benzamide Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C27H30ClN3O3/c1-2-3-8-18-13-15-22(16-14-18)31-26(33)23(28)24(27(31)34)29-21-12-7-9-19(17-21)25(32)30-20-10-5-4-6-11-20/h7,9,12-17,20,29H,2-6,8,10-11H2,1H3,(H,30,32)