7-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-4H-1,4-benzoxazin-3-one Openeye Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one Traditional Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)NC(=O)CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)NC(=O)CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c25-20-15-27-19-13-17(7-8-18(19)22-20)21(26)24-10-4-9-23(11-12-24)14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,22,25)