N-[(E)-[3-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-phenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[(E)-[3-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-phenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[(E)-[3-(2-amino-2-oxo-ethoxy)-4-methoxy-phenyl]methyleneamino]-3-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[(E)-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-3-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[(E)-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[(E)-[3-(2-amino-2-keto-ethoxy)-4-methoxy-benzylidene]amino]-3-(pyrazol-1-ylmethyl)benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)CN3C=CC=N3)OCC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)CN3C=CC=N3)OCC(=O)N

InChI

InChI=1S/C21H21N5O4/c1-29-18-7-6-15(11-19(18)30-14-20(22)27)12-23-25-21(28)17-5-2-4-16(10-17)13-26-9-3-8-24-26/h2-12H,13-14H2,1H3,(H2,22,27)(H,25,28)/b23-12+