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

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-propyl-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-N-propyl-2-pyrrolidino-benzamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-2-11-23-20(27)18-14-17(9-10-19(18)26-12-3-4-13-26)25-21(28)24-16-7-5-15(22)6-8-16/h5-10,14H,2-4,11-13H2,1H3,(H,23,27)(H2,24,25,28)