4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-2-benzofuranyl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1-benzofuran-2-yl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H28ClN3O2/c22-17-7-8-20-16(13-17)14-19(27-20)15-24-9-4-10-25(12-11-24)21(26)23-18-5-2-1-3-6-18/h7-8,13-14,18H,1-6,9-12,15H2,(H,23,26)