methyl 5-[[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-quinolinylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N3O3/c1-27-22(26)21-10-9-19(28-21)16-25-12-4-11-24(13-14-25)15-18-8-7-17-5-2-3-6-20(17)23-18/h2-3,5-10H,4,11-16H2,1H3