N-[(E)-[4-oxidanylidene-4-[(4-phenylmethoxyphenyl)amino]butan-2-ylidene]amino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[4-oxidanylidene-4-[(4-phenylmethoxyphenyl)amino]butan-2-ylidene]amino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[3-(4-benzyloxyanilino)-1-methyl-3-oxo-propylidene]amino]pyrazine-2-carboxamide CAS Name: N-[(E)-[4-oxo-4-(4-phenylmethoxyanilino)butan-2-ylidene]amino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[4-oxo-4-(4-phenylmethoxyanilino)butan-2-ylidene]amino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[3-(4-benzoxyanilino)-3-keto-1-methyl-propylidene]amino]pyrazinamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)C1=NC=CN=C1)/CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O3/c1-16(26-27-22(29)20-14-23-11-12-24-20)13-21(28)25-18-7-9-19(10-8-18)30-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,25,28)(H,27,29)/b26-16+