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

Systemtic Name: 6-methyl-4-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,4-benzoxazin-3-one Openeye Name: 6-methyl-4-[4-[3-methyl-4-(m-tolyl)piperazin-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[4-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-4-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-keto-4-[3-methyl-4-(m-tolyl)piperazino]butyl]-6-methyl-1,4-benzoxazin-3-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCCN3C(=O)COC4=C3C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCCN3C(=O)COC4=C3C=C(C=C4)C

InChI

InChI=1S/C25H31N3O3/c1-18-6-4-7-21(14-18)27-13-12-26(16-20(27)3)24(29)8-5-11-28-22-15-19(2)9-10-23(22)31-17-25(28)30/h4,6-7,9-10,14-15,20H,5,8,11-13,16-17H2,1-3H3