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

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-N-(2-oxolanylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-2-pyrrolidino-N-(tetrahydrofurfuryl)benzamide Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4CCCO4

InChI

InChI=1S/C23H27BrN4O3/c24-16-5-3-6-17(13-16)26-23(30)27-18-8-9-21(28-10-1-2-11-28)20(14-18)22(29)25-15-19-7-4-12-31-19/h3,5-6,8-9,13-14,19H,1-2,4,7,10-12,15H2,(H,25,29)(H2,26,27,30)