6-[2-(4-phthalazin-1-ylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one hydrochloride

Systemtic Name: 6-[2-(4-phthalazin-1-ylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one hydrochloride Openeye Name: 6-[2-(4-phthalazin-1-ylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one hydrochloride CAS Name: 6-[2-[4-(1-phthalazinyl)-1-piperazinyl]ethyl]-3H-1,3-benzoxazol-2-one hydrochloride IUPAC Name: 6-[2-(4-phthalazin-1-ylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one hydrochloride Traditional Name: 6-[2-(4-phthalazin-1-ylpiperazino)ethyl]-3H-1,3-benzoxazol-2-one hydrochloride Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)O3)C4=NN=CC5=CC=CC=C54.Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)O3)C4=NN=CC5=CC=CC=C54.Cl

InChI

InChI=1S/C21H21N5O2.ClH/c27-21-23-18-6-5-15(13-19(18)28-21)7-8-25-9-11-26(12-10-25)20-17-4-2-1-3-16(17)14-22-24-20;/h1-6,13-14H,7-12H2,(H,23,27);1H