4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-22(11-14-26-20-9-4-5-10-21(20)29-18-23(26)28)25-13-6-12-24(15-16-25)17-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2