3-chloranyl-N-octyl-4-[[3-oxidanylidene-3-(1-phenylimidazol-2-yl)propanoyl]amino]benzamide

Systemtic Name: 3-chloranyl-N-octyl-4-[[3-oxidanylidene-3-(1-phenylimidazol-2-yl)propanoyl]amino]benzamide Openeye Name: 3-chloro-N-octyl-4-[[3-oxo-3-(1-phenylimidazol-2-yl)propanoyl]amino]benzamide CAS Name: 3-chloro-4-[[1,3-dioxo-3-(1-phenyl-2-imidazolyl)propyl]amino]-N-octylbenzamide IUPAC Name: 3-chloro-N-octyl-4-[[3-oxo-3-(1-phenylimidazol-2-yl)propanoyl]amino]benzamide Traditional Name: 3-chloro-4-[[3-keto-3-(1-phenylimidazol-2-yl)propanoyl]amino]-N-octyl-benzamide Formula: C27H31ClN4O3 MolecularWeight: 495.01304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC(=C(C=C1)NC(=O)CC(=O)C2=NC=CN2C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC(=C(C=C1)NC(=O)CC(=O)C2=NC=CN2C3=CC=CC=C3)Cl

InChI

InChI=1S/C27H31ClN4O3/c1-2-3-4-5-6-10-15-30-27(35)20-13-14-23(22(28)18-20)31-25(34)19-24(33)26-29-16-17-32(26)21-11-8-7-9-12-21/h7-9,11-14,16-18H,2-6,10,15,19H2,1H3,(H,30,35)(H,31,34)