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

Systemtic Name: N-(2-chlorophenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chlorophenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-chlorophenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chlorophenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorophenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)CN3CCCN(CC3)C(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)CN3CCCN(CC3)C(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4O2/c1-15-7-8-19-18(13-15)23-20(28-19)14-25-9-4-10-26(12-11-25)21(27)24-17-6-3-2-5-16(17)22/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,27)