4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzamide

Systemtic Name: 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzamide Openeye Name: 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzamide CAS Name: 4-[4-[4-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]benzamide IUPAC Name: 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzamide Traditional Name: 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzamide Formula: C27H25N5O2 MolecularWeight: 451.5197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C27H25N5O2/c28-25(33)19-10-8-18(9-11-19)24-22-6-2-3-7-23(22)26(31-30-24)29-21-14-12-20(13-15-21)27(34)32-16-4-1-5-17-32/h2-3,6-15H,1,4-5,16-17H2,(H2,28,33)(H,29,31)