methyl 3-[6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-methoxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-methoxy-3-oxo-4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methoxy-3-oxo-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[3-keto-6-methoxy-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)CCC(=O)OC

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)CCC(=O)OC

InChI

InChI=1S/C16H23N3O4/c1-22-14-10-18(7-5-16(21)23-2)12-15(20)19(11-14)9-13-4-3-6-17-8-13/h3-4,6,8,14H,5,7,9-12H2,1-2H3