N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide Openeye Name: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxy-phenyl]methyleneamino]-4-pyrrol-1-yl-benzamide CAS Name: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-4-pyrrol-1-ylbenzamide Traditional Name: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxy-benzylidene]amino]-4-pyrrol-1-yl-benzamide Formula: C26H24N6O2 MolecularWeight: 452.50776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)CN4C5C=CC=CC5N=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)CN4C5C=CC=CC5N=N4

InChI

InChI=1S/C26H24N6O2/c1-34-25-13-8-19(16-21(25)18-32-24-7-3-2-6-23(24)28-30-32)17-27-29-26(33)20-9-11-22(12-10-20)31-14-4-5-15-31/h2-17,23-24H,18H2,1H3,(H,29,33)