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

Systemtic Name: 3-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-methyl-1-(3-phenylpropyl)urea Openeye Name: 3-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-methyl-1-(3-phenylpropyl)urea CAS Name: 3-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-1-methyl-1-(3-phenylpropyl)urea IUPAC Name: 3-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-methyl-1-(3-phenylpropyl)urea Traditional Name: 3-[3-chloro-4-(3-ketopiperazino)phenyl]-1-methyl-1-(3-phenylpropyl)urea Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CN(CCCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-25(12-5-8-16-6-3-2-4-7-16)21(28)24-17-9-10-19(18(22)14-17)26-13-11-23-20(27)15-26/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,23,27)(H,24,28)