methyl 5-[[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(1-methyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-23-15-18(17-6-3-4-7-19(17)23)21(26)25-11-5-10-24(12-13-25)14-16-8-9-20(29-16)22(27)28-2/h3-4,6-9,15H,5,10-14H2,1-2H3