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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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