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

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[2-(1-pyrrolidinyl)ethylamino]phenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(2-pyrrolidinoethylamino)phenyl]propionamide Formula: C23H28BrN5O4 MolecularWeight: 518.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H28BrN5O4/c24-18-6-3-16(4-7-18)13-23(31)27-20(15-22(25)30)17-5-8-19(21(14-17)29(32)33)26-9-12-28-10-1-2-11-28/h3-8,14,20,26H,1-2,9-13,15H2,(H2,25,30)(H,27,31)