3-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-[2-[(4-phenylpiperazino)methyl]benzyl]propionamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O3/c34-28(14-15-33-26-12-6-7-13-27(26)36-22-29(33)35)30-20-23-8-4-5-9-24(23)21-31-16-18-32(19-17-31)25-10-2-1-3-11-25/h1-13H,14-22H2,(H,30,34)