N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-(homoveratrylamino)-3-keto-propyl]-N-phenethyl-pyrazinamide Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3)OC

InChI

InChI=1S/C26H30N4O4/c1-33-23-9-8-21(18-24(23)34-2)10-13-29-25(31)12-17-30(16-11-20-6-4-3-5-7-20)26(32)22-19-27-14-15-28-22/h3-9,14-15,18-19H,10-13,16-17H2,1-2H3,(H,29,31)