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

Systemtic Name: N-ethyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H29N3O2/c1-3-25-24(28)27-12-4-11-26(13-14-27)17-22-16-21-15-20(9-10-23(21)29-22)19-7-5-18(2)6-8-19/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,25,28)