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

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-[4-(1-piperidyl)-1-piperidyl]phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[3-nitro-4-(4-piperidinopiperidino)phenyl]propionamide Formula: C27H34BrN5O4 MolecularWeight: 572.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C27H34BrN5O4/c28-21-7-4-19(5-8-21)16-27(35)30-23(18-26(29)34)20-6-9-24(25(17-20)33(36)37)32-14-10-22(11-15-32)31-12-2-1-3-13-31/h4-9,17,22-23H,1-3,10-16,18H2,(H2,29,34)(H,30,35)