N-[2-[[3-(imidazol-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[[3-(imidazol-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[3-(imidazol-1-ylmethyl)anilino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[3-(1-imidazolylmethyl)anilino]-2-oxoethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[3-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-(imidazol-1-ylmethyl)anilino]-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)CN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)CN3C=CN=C3)OC

InChI

InChI=1S/C21H22N4O4/c1-28-18-7-6-16(11-19(18)29-2)21(27)23-12-20(26)24-17-5-3-4-15(10-17)13-25-9-8-22-14-25/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26)