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

Systemtic Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxy-benzamide Openeye Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxy-benzamide CAS Name: N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-propoxybenzamide IUPAC Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxybenzamide Traditional Name: N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-propoxy-benzamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O3/c1-2-21-35-27-10-6-9-24(22-27)29(34)30-25-12-14-26(15-13-25)31-17-19-32(20-18-31)28(33)16-11-23-7-4-3-5-8-23/h3-16,22H,2,17-21H2,1H3,(H,30,34)/b16-11+