N-cyclopropyl-4-methyl-3-[1-(3-oxidanylidenepiperazin-1-yl)phthalazin-6-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-(3-oxidanylidenepiperazin-1-yl)phthalazin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[1-(3-oxopiperazin-1-yl)phthalazin-6-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[1-(3-oxo-1-piperazinyl)-6-phthalazinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[1-(3-oxopiperazin-1-yl)phthalazin-6-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-(3-ketopiperazino)phthalazin-6-yl]-4-methyl-benzamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)N5CCNC(=O)C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)N5CCNC(=O)C5

InChI

InChI=1S/C23H23N5O2/c1-14-2-3-16(23(30)26-18-5-6-18)11-20(14)15-4-7-19-17(10-15)12-25-27-22(19)28-9-8-24-21(29)13-28/h2-4,7,10-12,18H,5-6,8-9,13H2,1H3,(H,24,29)(H,26,30)