(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazino]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O/c1-20(2)24-14-8-10-21(3)25(24)27-26(30)22(4)29-18-16-28(17-19-29)15-9-13-23-11-6-5-7-12-23/h5-14,20,22H,15-19H2,1-4H3,(H,27,30)/b13-9+/t22-/m0/s1