5-[(3-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-N-(2-methoxyethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidino-benzamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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