1-[5-chloranyl-2-[(E)-3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]urea

Systemtic Name: 1-[5-chloranyl-2-[(E)-3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]urea Openeye Name: [5-chloro-2-[(E)-3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxo-prop-1-enyl]phenyl]urea CAS Name: [5-chloro-2-[(E)-3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]urea IUPAC Name: [5-chloro-2-[(E)-3-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]urea Traditional Name: [5-chloro-2-[(E)-3-[(2S)-4-(4-fluorobenzyl)-2-methyl-piperazino]-3-keto-prop-1-enyl]phenyl]urea Formula: C22H24ClFN4O2 MolecularWeight: 430.902963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)/C=C/C2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24ClFN4O2/c1-15-13-27(14-16-2-7-19(24)8-3-16)10-11-28(15)21(29)9-5-17-4-6-18(23)12-20(17)26-22(25)30/h2-9,12,15H,10-11,13-14H2,1H3,(H3,25,26,30)/b9-5+/t15-/m0/s1