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

Systemtic Name: 4-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]-N-(3-chloranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O2/c1-14-3-5-16(12-17(14)23)24-21(28)27-8-2-7-26(9-10-27)13-20-25-18-11-15(22)4-6-19(18)29-20/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,28)