N-[(1S)-1-(3,4-dimethoxyphenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-dimethoxyphenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-keto-ethyl]-N-phenethyl-pyrazinamide Formula: C30H30N4O4 MolecularWeight: 510.5836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=NC=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C(=O)NCC2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=NC=CN=C4)OC

InChI

InChI=1S/C30H30N4O4/c1-37-26-14-13-24(19-27(26)38-2)28(29(35)33-20-23-11-7-4-8-12-23)34(18-15-22-9-5-3-6-10-22)30(36)25-21-31-16-17-32-25/h3-14,16-17,19,21,28H,15,18,20H2,1-2H3,(H,33,35)/t28-/m0/s1