N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]pyrazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]pyrazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-pyrazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-N-piperonyl-pyrazinamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C27H28N4O4/c32-26(30-21-9-5-2-6-10-21)25(20-7-3-1-4-8-20)31(27(33)22-16-28-13-14-29-22)17-19-11-12-23-24(15-19)35-18-34-23/h1,3-4,7-8,11-16,21,25H,2,5-6,9-10,17-18H2,(H,30,32)/t25-/m1/s1