methyl 4-[3-chloranyl-6-oxidanylidene-1-phenyl-5-[(phenylmethyl)amino]pyrazin-2-yl]benzoate

Systemtic Name: methyl 4-[3-chloranyl-6-oxidanylidene-1-phenyl-5-[(phenylmethyl)amino]pyrazin-2-yl]benzoate Openeye Name: methyl 4-[5-(benzylamino)-3-chloro-6-oxo-1-phenyl-pyrazin-2-yl]benzoate CAS Name: 4-[3-chloro-6-oxo-1-phenyl-5-[(phenylmethyl)amino]-2-pyrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(benzylamino)-3-chloro-6-oxo-1-phenylpyrazin-2-yl]benzoate Traditional Name: 4-[5-(benzylamino)-3-chloro-6-keto-1-phenyl-pyrazin-2-yl]benzoic acid methyl ester Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3O3/c1-32-25(31)19-14-12-18(13-15-19)21-22(26)28-23(27-16-17-8-4-2-5-9-17)24(30)29(21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,27,28)