1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbonyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbonyl]-1,4-diazepan-5-one Openeye Name: 1-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazole-5-carbonyl]-1,4-diazepan-5-one CAS Name: 1-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazole-5-carbonyl]-1,4-diazepan-5-one Traditional Name: 1-[2-(4-chlorobenzyl)-1,3-benzoxazole-5-carbonyl]-1,4-diazepan-5-one Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCNC1=O)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-15-4-1-13(2-5-15)11-19-23-16-12-14(3-6-17(16)27-19)20(26)24-9-7-18(25)22-8-10-24/h1-6,12H,7-11H2,(H,22,25)