N-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-p-anisoyl-1,4-diazepane-1-carboxamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O3/c1-28-18-9-7-16(8-10-18)20(26)24-11-4-12-25(14-13-24)21(27)23-15-17-5-2-3-6-19(17)22/h2-3,5-10H,4,11-15H2,1H3,(H,23,27)