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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-isopropoxy-benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propan-2-yloxybenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-isopropoxy-benzamide Formula: C29H30ClN3O3 MolecularWeight: 504.0198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClN3O3/c1-21(2)36-25-10-6-9-23(19-25)29(35)31-24-12-13-27(26(30)20-24)32-15-17-33(18-16-32)28(34)14-11-22-7-4-3-5-8-22/h3-14,19-21H,15-18H2,1-2H3,(H,31,35)/b14-11+