(phenylmethyl) 2-[3-chloranyl-2-methyl-5-[(4-methylpiperidin-1-yl)methylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-methyl-5-[(4-methylpiperidin-1-yl)methylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-methyl-5-[(4-methyl-1-piperidyl)methylamino]-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-methyl-5-[(4-methyl-1-piperidinyl)methylamino]-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-methyl-5-[(4-methylpiperidin-1-yl)methylamino]-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-[(4-methylpiperidino)methylamino]pyrazin-1-yl]acetic acid benzyl ester Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1CCN(CC1)CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H27ClN4O3/c1-15-8-10-25(11-9-15)14-23-20-21(28)26(16(2)19(22)24-20)12-18(27)29-13-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3,(H,23,24)