N-[[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridin-3-yl]methyl]-1-phenyl-methanamine

Systemtic Name: N-[[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridin-3-yl]methyl]-1-phenyl-methanamine Openeye Name: N-[[6-[[3-(5-methylisoxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridyl]methyl]-1-phenyl-methanamine CAS Name: N-[[6-[[3-(5-methyl-3-isoxazolyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]methyl]-1-phenylmethanamine IUPAC Name: N-[[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridin-3-yl]methyl]-1-phenylmethanamine Traditional Name: benzyl-[[6-[[3-(5-methylisoxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridyl]methyl]amine Formula: C27H23N7O2 MolecularWeight: 477.51722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=NC=C(C=C5)CNCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=NC=C(C=C5)CNCC6=CC=CC=C6

InChI

InChI=1S/C27H23N7O2/c1-18-13-24(33-36-18)26-31-30-25-22-9-5-6-10-23(22)27(32-34(25)26)35-17-21-12-11-20(16-29-21)15-28-14-19-7-3-2-4-8-19/h2-13,16,28H,14-15,17H2,1H3