N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-(isopentylamino)-3-oxo-propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-(isoamylamino)-3-keto-propyl]-N-phenethyl-pyrazinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC(C)CCNC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C21H28N4O2/c1-17(2)8-11-24-20(26)10-15-25(14-9-18-6-4-3-5-7-18)21(27)19-16-22-12-13-23-19/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,24,26)