4-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-28-18-6-3-2-5-16(18)24-21(27)26-10-4-9-25(11-12-26)14-20-23-17-13-15(22)7-8-19(17)29-20/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,27)