1-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea

Systemtic Name: 1-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-[3-chloro-4-(3-ketopiperazino)phenyl]-3-(4-fluorobenzyl)urea Formula: C18H18ClFN4O2 MolecularWeight: 376.812523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN4O2/c19-15-9-14(5-6-16(15)24-8-7-21-17(25)11-24)23-18(26)22-10-12-1-3-13(20)4-2-12/h1-6,9H,7-8,10-11H2,(H,21,25)(H2,22,23,26)