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

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-pyrrolidin-1-yl-1-piperidyl)phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[4-(1-pyrrolidinyl)-1-piperidinyl]phenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-pyrrolidinopiperidino)phenyl]propionamide Formula: C26H32BrN5O4 MolecularWeight: 558.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H32BrN5O4/c27-20-6-3-18(4-7-20)15-26(34)29-22(17-25(28)33)19-5-8-23(24(16-19)32(35)36)31-13-9-21(10-14-31)30-11-1-2-12-30/h3-8,16,21-22H,1-2,9-15,17H2,(H2,28,33)(H,29,34)