N-[(E)-[4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[3-(3-chloro-4-methoxy-anilino)-1-methyl-3-oxo-propylidene]amino]pyrazine-2-carboxamide CAS Name: N-[(E)-[4-(3-chloro-4-methoxyanilino)-4-oxobutan-2-ylidene]amino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[4-(3-chloro-4-methoxyanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[3-(3-chloro-4-methoxy-anilino)-3-keto-1-methyl-propylidene]amino]pyrazinamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

C/C(=N\NC(=O)C1=NC=CN=C1)/CC(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-10(21-22-16(24)13-9-18-5-6-19-13)7-15(23)20-11-3-4-14(25-2)12(17)8-11/h3-6,8-9H,7H2,1-2H3,(H,20,23)(H,22,24)/b21-10+