4-chloranyl-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-yl-phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-yl-phenyl]benzamide Openeye Name: 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(1-piperidyl)phenyl]benzamide CAS Name: 4-chloro-N-[5-(4-methoxy-1-phthalazinyl)-2-(1-piperidinyl)phenyl]benzamide IUPAC Name: 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide Traditional Name: 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidino-phenyl]benzamide Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2/c1-34-27-22-8-4-3-7-21(22)25(30-31-27)19-11-14-24(32-15-5-2-6-16-32)23(17-19)29-26(33)18-9-12-20(28)13-10-18/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,29,33)