N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-prop-2-enoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-prop-2-enoxybenzamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[3-chloro-4-(3-ketopiperazino)phenyl]benzamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-2-11-27-16-6-3-14(4-7-16)20(26)23-15-5-8-18(17(21)12-15)24-10-9-22-19(25)13-24/h2-8,12H,1,9-11,13H2,(H,22,25)(H,23,26)