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

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C30H30ClN5O5 MolecularWeight: 576.0427

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H30ClN5O5/c31-24-8-10-26(33-12-14-35(15-13-33)29(37)11-6-22-4-2-1-3-5-22)25(21-24)32-30(38)23-7-9-27(28(20-23)36(39)40)34-16-18-41-19-17-34/h1-11,20-21H,12-19H2,(H,32,38)/b11-6+