methyl 5-[[4-[(4-methoxy-2-methyl-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(4-methoxy-2-methyl-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4-methoxy-2-methyl-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(4-methoxy-2-methylanilino)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-methoxy-2-methylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(4-methoxy-2-methyl-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-15-13-16(27-2)5-7-18(15)22-21(26)24-10-4-9-23(11-12-24)14-17-6-8-19(29-17)20(25)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,26)