5-[(4-bromophenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C31H30BrN5O3 MolecularWeight: 600.5056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H30BrN5O3/c1-40-29-7-3-2-6-28(29)37-17-15-36(16-18-37)27-13-12-25(35-30(38)23-8-10-24(32)11-9-23)19-26(27)31(39)34-21-22-5-4-14-33-20-22/h2-14,19-20H,15-18,21H2,1H3,(H,34,39)(H,35,38)