5-[(4-bromophenyl)carbamoylamino]-N-butan-2-yl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-butan-2-yl-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-2-pyrrolidin-1-yl-N-sec-butyl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-butan-2-yl-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-2-pyrrolidino-N-sec-butyl-benzamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)Br)N3CCCC3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)Br)N3CCCC3

InChI

InChI=1S/C22H27BrN4O2/c1-3-15(2)24-21(28)19-14-18(10-11-20(19)27-12-4-5-13-27)26-22(29)25-17-8-6-16(23)7-9-17/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,28)(H2,25,26,29)