(E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-en-1-one CAS Name: (E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-propen-1-one IUPAC Name: (E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-en-1-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C=CC3=NN=C4N3N=CC5=CC=CC=C54

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)/C=C/C3=NN=C4N3N=CC5=CC=CC=C54

InChI

InChI=1S/C21H23N5O/c27-20(25-12-11-15-5-1-2-7-17(15)14-25)10-9-19-23-24-21-18-8-4-3-6-16(18)13-22-26(19)21/h3-4,6,8-10,13,15,17H,1-2,5,7,11-12,14H2/b10-9+/t15-,17-/m1/s1