3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]propanamide

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-[2-(1-piperidyl)ethylamino]phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[2-(1-piperidinyl)ethylamino]phenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(2-piperidinoethylamino)phenyl]propionamide Formula: C24H30BrN5O4 MolecularWeight: 532.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H30BrN5O4/c25-19-7-4-17(5-8-19)14-24(32)28-21(16-23(26)31)18-6-9-20(22(15-18)30(33)34)27-10-13-29-11-2-1-3-12-29/h4-9,15,21,27H,1-3,10-14,16H2,(H2,26,31)(H,28,32)