N-(4-ethylphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H30N4O2/c1-2-21-6-9-25(10-7-21)30-28(33)32-14-4-13-31(15-16-32)20-26-18-24-17-22(8-11-27(24)34-26)23-5-3-12-29-19-23/h3,5-12,17-19H,2,4,13-16,20H2,1H3,(H,30,33)