3-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[3-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[3-(1,4-diketo-3H-phthalazin-2-yl)propanoylamino]-4-pyrrolidino-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N5O4/c23-20(29)14-7-8-18(26-10-3-4-11-26)17(13-14)24-19(28)9-12-27-22(31)16-6-2-1-5-15(16)21(30)25-27/h1-2,5-8,13H,3-4,9-12H2,(H2,23,29)(H,24,28)(H,25,30)