5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2,6-dimethylanilino)-oxomethyl]amino]-N-[(4-fluorophenyl)methyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-(4-fluorobenzyl)-2-pyrrolidino-benzamide Formula: C27H29FN4O2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN4O2/c1-18-6-5-7-19(2)25(18)31-27(34)30-22-12-13-24(32-14-3-4-15-32)23(16-22)26(33)29-17-20-8-10-21(28)11-9-20/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,29,33)(H2,30,31,34)