2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H22N6O3/c30-20(14-29-23(32)18-7-4-3-6-17(18)22(31)27-29)24-16-11-9-15(10-12-16)21-26-25-19-8-2-1-5-13-28(19)21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,24,30)(H,27,31)