4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(1-hydroxyethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1-hydroxyethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-(1-hydroxyethyl)piperidino]phthalazine-6-carbonitrile Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)O

Isomeric SMILES

CC(C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)O

InChI

InChI=1S/C24H26ClN5O2/c1-15(31)18-7-9-30(10-8-18)24-19-5-3-16(13-26)11-20(19)23(28-29-24)27-14-17-4-6-22(32-2)21(25)12-17/h3-6,11-12,15,18,31H,7-10,14H2,1-2H3,(H,27,28)