4-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-ethanoyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-ethanoyl-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[4-(4-benzhydrylpiperazino)-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O4/c1-23(35)26-14-15-28-27(21-26)34(30(37)22-38-28)16-8-13-29(36)32-17-19-33(20-18-32)31(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-15,21,31H,8,13,16-20,22H2,1H3