methyl 5-(1-naphthalen-2-ylcarbonyl-3-oxidanylidene-piperazin-2-yl)pentanoate

Systemtic Name: methyl 5-(1-naphthalen-2-ylcarbonyl-3-oxidanylidene-piperazin-2-yl)pentanoate Openeye Name: methyl 5-[1-(naphthalene-2-carbonyl)-3-oxo-piperazin-2-yl]pentanoate CAS Name: 5-[1-[2-naphthalenyl(oxo)methyl]-3-oxo-2-piperazinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[1-(naphthalene-2-carbonyl)-3-oxopiperazin-2-yl]pentanoate Traditional Name: 5-[3-keto-1-(2-naphthoyl)piperazin-2-yl]valeric acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(=O)NCCN1C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCCCC1C(=O)NCCN1C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H24N2O4/c1-27-19(24)9-5-4-8-18-20(25)22-12-13-23(18)21(26)17-11-10-15-6-2-3-7-16(15)14-17/h2-3,6-7,10-11,14,18H,4-5,8-9,12-13H2,1H3,(H,22,25)