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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

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