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

Systemtic Name: 4-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-oxo-3-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(2-thenyl)-1,4-diazepan-1-yl]propyl]-1,4-benzoxazin-3-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O3S/c25-20(8-11-24-18-6-1-2-7-19(18)27-16-21(24)26)23-10-4-9-22(12-13-23)15-17-5-3-14-28-17/h1-3,5-7,14H,4,8-13,15-16H2