4-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-3-oxo-propyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-benzhydrylpiperazino)-3-keto-propyl]-7-methyl-1,4-benzoxazin-3-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-22-12-13-25-26(20-22)35-21-28(34)32(25)15-14-27(33)30-16-18-31(19-17-30)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20,29H,14-19,21H2,1H3