4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-[4-(3-oxidanylcyclobutyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-[4-(3-oxidanylcyclobutyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-[4-(3-hydroxycyclobutyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[4-(3-hydroxycyclobutyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[4-(3-hydroxycyclobutyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-[4-(3-hydroxycyclobutyl)piperidino]phthalazine-6-carbonitrile Formula: C27H30ClN5O2 MolecularWeight: 492.0124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C5CC(C5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C5CC(C5)O)Cl

InChI

InChI=1S/C27H30ClN5O2/c1-35-25-5-3-17(13-24(25)28)6-9-30-26-23-12-18(16-29)2-4-22(23)27(32-31-26)33-10-7-19(8-11-33)20-14-21(34)15-20/h2-5,12-13,19-21,34H,6-11,14-15H2,1H3,(H,30,31)