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

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-(2-methoxyethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidino-benzamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3/c1-29-13-10-23-20(27)18-14-17(8-9-19(18)26-11-2-3-12-26)25-21(28)24-16-6-4-15(22)5-7-16/h4-9,14H,2-3,10-13H2,1H3,(H,23,27)(H2,24,25,28)