(phenylmethyl) 2-[3-(4-azanylbutylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(4-azanylbutylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-(4-aminobutylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCCN)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCCN)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN4O3/c24-21-20(18-11-5-2-6-12-18)28(23(30)22(27-21)26-14-8-7-13-25)15-19(29)31-16-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16,25H2,(H,26,27)