N-naphthalen-2-yl-4-(4-prop-2-ynoxyphenyl)phthalazin-1-amine

Systemtic Name: N-naphthalen-2-yl-4-(4-prop-2-ynoxyphenyl)phthalazin-1-amine Openeye Name: N-(2-naphthyl)-4-(4-prop-2-ynoxyphenyl)phthalazin-1-amine CAS Name: N-(2-naphthalenyl)-4-(4-prop-2-ynoxyphenyl)-1-phthalazinamine IUPAC Name: N-naphthalen-2-yl-4-(4-prop-2-ynoxyphenyl)phthalazin-1-amine Traditional Name: 2-naphthyl-[4-(4-propargyloxyphenyl)phthalazin-1-yl]amine Formula: C27H19N3O MolecularWeight: 401.45926

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H19N3O/c1-2-17-31-23-15-12-20(13-16-23)26-24-9-5-6-10-25(24)27(30-29-26)28-22-14-11-19-7-3-4-8-21(19)18-22/h1,3-16,18H,17H2,(H,28,30)