5-[(3-bromophenyl)carbonylamino]-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(3-bromobenzoyl)amino]-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-N-[2-(4-morpholinyl)ethyl]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(3-bromobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-[(3-bromobenzoyl)amino]-N-(2-morpholinoethyl)benzamide Formula: C31H36BrN5O3 MolecularWeight: 606.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C31H36BrN5O3/c32-26-8-4-7-25(21-26)30(38)34-27-9-10-29(28(22-27)31(39)33-11-12-35-17-19-40-20-18-35)37-15-13-36(14-16-37)23-24-5-2-1-3-6-24/h1-10,21-22H,11-20,23H2,(H,33,39)(H,34,38)