2-methyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 2-methyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 2-methyl-4-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 2-methyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 2-methyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl]-2-methyl-1,4-benzoxazin-3-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H31N3O3/c1-19-8-3-4-9-21(19)18-26-13-7-14-27(17-16-26)24(29)12-15-28-22-10-5-6-11-23(22)31-20(2)25(28)30/h3-6,8-11,20H,7,12-18H2,1-2H3