ethyl 4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[1H-benzimidazol-2-yl-[(5-methyl-2-furyl)methyl]amino]azepane-1-carboxylate CAS Name: 4-[1H-benzimidazol-2-yl-[(5-methyl-2-furanyl)methyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]azepane-1-carboxylate Traditional Name: 4-[1H-benzimidazol-2-yl-[(5-methyl-2-furyl)methyl]amino]azepane-1-carboxylic acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)N(CC2=CC=C(O2)C)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)N(CC2=CC=C(O2)C)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4O3/c1-3-28-22(27)25-13-6-7-17(12-14-25)26(15-18-11-10-16(2)29-18)21-23-19-8-4-5-9-20(19)24-21/h4-5,8-11,17H,3,6-7,12-15H2,1-2H3,(H,23,24)