4-butan-2-yloxy-N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-butan-2-yloxy-N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-4-sec-butoxy-benzamide Formula: C30H32ClN3O3 MolecularWeight: 518.04638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H32ClN3O3/c1-3-22(2)37-26-13-10-24(11-14-26)30(36)32-25-12-15-28(27(31)21-25)33-17-19-34(20-18-33)29(35)16-9-23-7-5-4-6-8-23/h4-16,21-22H,3,17-20H2,1-2H3,(H,32,36)/b16-9+