4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-4-oxa-8-azaspiro[4.5]decan-8-yl]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-4-oxa-8-azaspiro[4.5]decan-8-yl]phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-4-oxa-8-azaspiro[4.5]decan-8-yl]phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-4-oxa-8-azaspiro[4.5]decan-8-yl]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-4-oxa-8-azaspiro[4.5]decan-8-yl]phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-methylol-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile hydrochloride Formula: C26H29Cl2N5O3 MolecularWeight: 530.44616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CCC(O5)CO)CC4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CCC(O5)CO)CC4)Cl.Cl

InChI

InChI=1S/C26H28ClN5O3.ClH/c1-34-23-5-3-18(13-22(23)27)15-29-24-21-12-17(14-28)2-4-20(21)25(31-30-24)32-10-8-26(9-11-32)7-6-19(16-33)35-26;/h2-5,12-13,19,33H,6-11,15-16H2,1H3,(H,29,30);1H