6-methoxy-4-[(4-phenoxyphenyl)amino]-7-[2-(1,2,3-triazol-1-yl)ethoxy]quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-4-[(4-phenoxyphenyl)amino]-7-[2-(1,2,3-triazol-1-yl)ethoxy]quinoline-3-carbonitrile Openeye Name: 6-methoxy-4-(4-phenoxyanilino)-7-[2-(triazol-1-yl)ethoxy]quinoline-3-carbonitrile CAS Name: 6-methoxy-4-(4-phenoxyanilino)-7-[2-(1-triazolyl)ethoxy]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-4-(4-phenoxyanilino)-7-[2-(triazol-1-yl)ethoxy]quinoline-3-carbonitrile Traditional Name: 6-methoxy-4-(4-phenoxyanilino)-7-[2-(triazol-1-yl)ethoxy]quinoline-3-carbonitrile Formula: C27H22N6O3 MolecularWeight: 478.50198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4)OCCN5C=CN=N5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4)OCCN5C=CN=N5

InChI

InChI=1S/C27H22N6O3/c1-34-25-15-23-24(16-26(25)35-14-13-33-12-11-30-32-33)29-18-19(17-28)27(23)31-20-7-9-22(10-8-20)36-21-5-3-2-4-6-21/h2-12,15-16,18H,13-14H2,1H3,(H,29,31)