3-[2-[(4-bromophenyl)carbonylamino]propanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-[(4-bromophenyl)carbonylamino]propanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-[(4-bromobenzoyl)amino]propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-[(4-bromobenzoyl)amino]propanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-[(4-bromobenzoyl)amino]propanoylamino]-4-pyrrolidino-benzamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4O3/c1-13(24-21(29)14-4-7-16(22)8-5-14)20(28)25-17-12-15(19(23)27)6-9-18(17)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,27)(H,24,29)(H,25,28)