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

Systemtic Name: 5-[(2-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2-bromoanilino)-oxomethyl]amino]-N-(2-methoxyethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2-bromophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2-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=C2Br)N3CCCC3

Isomeric SMILES

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2Br)N3CCCC3

InChI

InChI=1S/C21H25BrN4O3/c1-29-13-10-23-20(27)16-14-15(8-9-19(16)26-11-4-5-12-26)24-21(28)25-18-7-3-2-6-17(18)22/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,23,27)(H2,24,25,28)