N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]-5-(3-phenylprop-2-enoylamino)benzamide

Systemtic Name: N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]-5-(3-phenylprop-2-enoylamino)benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3-phenylprop-2-enoylamino)benzamide CAS Name: N-cyclohexyl-5-[(1-oxo-3-phenylprop-2-enyl)amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3-phenylprop-2-enoylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-cinnamamido-N-cyclohexyl-benzamide Formula: C33H38N4O2 MolecularWeight: 522.68042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C=CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C=CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H38N4O2/c38-32(19-16-26-10-4-1-5-11-26)34-29-17-18-31(30(24-29)33(39)35-28-14-8-3-9-15-28)37-22-20-36(21-23-37)25-27-12-6-2-7-13-27/h1-2,4-7,10-13,16-19,24,28H,3,8-9,14-15,20-23,25H2,(H,34,38)(H,35,39)