4-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O3/c31-26-20-33-25-9-5-4-8-24(25)30(26)19-22-10-12-23(13-11-22)27(32)29-16-14-28(15-17-29)18-21-6-2-1-3-7-21/h1-13H,14-20H2