5-[(3-bromophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-N-[(4-fluorophenyl)methyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-N-(4-fluorobenzyl)-2-pyrrolidino-benzamide Formula: C25H24BrFN4O2 MolecularWeight: 511.386063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24BrFN4O2/c26-18-4-3-5-20(14-18)29-25(33)30-21-10-11-23(31-12-1-2-13-31)22(15-21)24(32)28-16-17-6-8-19(27)9-7-17/h3-11,14-15H,1-2,12-13,16H2,(H,28,32)(H2,29,30,33)