1-(3-cyanophenyl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-(3-cyanophenyl)-3-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[2-[(4-ethylpiperazino)methyl]benzyl]urea Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H27N5O/c1-2-26-10-12-27(13-11-26)17-20-8-4-3-7-19(20)16-24-22(28)25-21-9-5-6-18(14-21)15-23/h3-9,14H,2,10-13,16-17H2,1H3,(H2,24,25,28)