2-[[1-[2-[2-(1-azanylphthalazin-6-yl)oxyethyl]piperidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[[1-[2-[2-(1-azanylphthalazin-6-yl)oxyethyl]piperidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-N-cyclopentyl-ethanamide Openeye Name: 2-[[2-[2-[2-(1-aminophthalazin-6-yl)oxyethyl]-1-piperidyl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]-N-cyclopentyl-acetamide CAS Name: 2-[[1-[2-[2-[(1-amino-6-phthalazinyl)oxy]ethyl]-1-piperidinyl]-3-cyclohexyl-1-oxopropan-2-yl]amino]-N-cyclopentylacetamide IUPAC Name: 2-[[1-[2-[2-(1-aminophthalazin-6-yl)oxyethyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]-N-cyclopentylacetamide Traditional Name: 2-[[2-[2-[2-(1-aminophthalazin-6-yl)oxyethyl]piperidino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]-N-cyclopentyl-acetamide Formula: C31H46N6O3 MolecularWeight: 550.73534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCCC2CCOC3=CC4=CN=NC(=C4C=C3)N)NCC(=O)NC5CCCC5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCCC2CCOC3=CC4=CN=NC(=C4C=C3)N)NCC(=O)NC5CCCC5

InChI

InChI=1S/C31H46N6O3/c32-30-27-14-13-26(19-23(27)20-34-36-30)40-17-15-25-12-6-7-16-37(25)31(39)28(18-22-8-2-1-3-9-22)33-21-29(38)35-24-10-4-5-11-24/h13-14,19-20,22,24-25,28,33H,1-12,15-18,21H2,(H2,32,36)(H,35,38)