3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-(p-tolylmethyl)-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-N-[(4-methylphenyl)methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-(4-methylbenzyl)-4-pyrrolidino-benzamide Formula: C26H26ClFN4O2 MolecularWeight: 480.961643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)NC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)NC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C26H26ClFN4O2/c1-17-4-6-18(7-5-17)16-29-25(33)19-8-11-24(32-12-2-3-13-32)23(14-19)31-26(34)30-20-9-10-22(28)21(27)15-20/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,29,33)(H2,30,31,34)