4-phenyl-N-[5-(1,2,4-triazol-1-yl)pentyl]phthalazin-1-amine

Systemtic Name: 4-phenyl-N-[5-(1,2,4-triazol-1-yl)pentyl]phthalazin-1-amine Openeye Name: 4-phenyl-N-[5-(1,2,4-triazol-1-yl)pentyl]phthalazin-1-amine CAS Name: 4-phenyl-N-[5-(1,2,4-triazol-1-yl)pentyl]-1-phthalazinamine IUPAC Name: 4-phenyl-N-[5-(1,2,4-triazol-1-yl)pentyl]phthalazin-1-amine Traditional Name: (4-phenylphthalazin-1-yl)-[5-(1,2,4-triazol-1-yl)pentyl]amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCCCN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCCCN4C=NC=N4

InChI

InChI=1S/C21H22N6/c1-3-9-17(10-4-1)20-18-11-5-6-12-19(18)21(26-25-20)23-13-7-2-8-14-27-16-22-15-24-27/h1,3-6,9-12,15-16H,2,7-8,13-14H2,(H,23,26)