1-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]benzyl]-3-isopropyl-urea Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O2/c1-20(2)27-25(31)26-19-22-10-12-23(13-11-22)24(30)29-17-15-28(16-18-29)14-6-9-21-7-4-3-5-8-21/h3-13,20H,14-19H2,1-2H3,(H2,26,27,31)/p+1/b9-6+