4-(3-methylphenoxy)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide Openeye Name: 4-(3-methylphenoxy)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide CAS Name: 4-(3-methylphenoxy)-N-[4-(3-oxo-1-piperazinyl)phenyl]butanamide IUPAC Name: 4-(3-methylphenoxy)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-4-(3-methylphenoxy)butyramide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C21H25N3O3/c1-16-4-2-5-19(14-16)27-13-3-6-20(25)23-17-7-9-18(10-8-17)24-12-11-22-21(26)15-24/h2,4-5,7-10,14H,3,6,11-13,15H2,1H3,(H,22,26)(H,23,25)