N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-5-nitro-2-piperidino-benzamide Formula: C31H32ClN5O4 MolecularWeight: 574.06988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H32ClN5O4/c32-27-21-24(33-31(39)26-22-25(37(40)41)11-13-28(26)34-15-5-2-6-16-34)10-12-29(27)35-17-19-36(20-18-35)30(38)14-9-23-7-3-1-4-8-23/h1,3-4,7-14,21-22H,2,5-6,15-20H2,(H,33,39)/b14-9+