6-azanyl-5-(benzotriazol-1-yl)-2-ethoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 6-azanyl-5-(benzotriazol-1-yl)-2-ethoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 6-amino-5-(benzotriazol-1-yl)-2-ethoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 6-amino-5-(1-benzotriazolyl)-2-ethoxy-4-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 6-amino-5-(benzotriazol-1-yl)-2-ethoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 6-amino-5-(benzotriazol-1-yl)-2-ethoxy-4-(4-methoxyphenyl)nicotinonitrile Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3)N

Isomeric SMILES

CCOC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C21H18N6O2/c1-3-29-21-15(12-22)18(13-8-10-14(28-2)11-9-13)19(20(23)24-21)27-17-7-5-4-6-16(17)25-26-27/h4-11H,3H2,1-2H3,(H2,23,24)