methyl 3-[2-[2-(azepan-4-yl)ethyl]-5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(azepan-4-yl)ethyl]-5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl]propanoate Openeye Name: methyl 3-[2-[2-(azepan-4-yl)ethyl]-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoate CAS Name: 3-[2-[2-(4-azepanyl)ethyl]-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(azepan-4-yl)ethyl]-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 3-[2-[2-(azepan-4-yl)ethyl]-3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl]propionic acid methyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCCNCC3)CCC(=O)OC

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCCNCC3)CCC(=O)OC

InChI

InChI=1S/C21H32N4O3/c1-17-23(16-12-20(26)28-2)24(15-11-18-7-6-13-22-14-10-18)21(27)25(17)19-8-4-3-5-9-19/h3-5,8-9,17-18,22H,6-7,10-16H2,1-2H3