3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]propanamide

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]propionamide Formula: C26H27BrN6O4 MolecularWeight: 567.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C26H27BrN6O4/c27-20-7-4-18(5-8-20)15-26(35)30-21(17-24(28)34)19-6-9-22(23(16-19)33(36)37)31-11-13-32(14-12-31)25-3-1-2-10-29-25/h1-10,16,21H,11-15,17H2,(H2,28,34)(H,30,35)