4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[3-(oxan-2-yloxy)propyl]-1-oxidanylidene-phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[3-(oxan-2-yloxy)propyl]-1-oxidanylidene-phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-oxo-2-(3-tetrahydropyran-2-yloxypropyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[3-(2-oxanyloxy)propyl]-1-oxo-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[3-(oxan-2-yloxy)propyl]-1-oxophthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-keto-2-(3-tetrahydropyran-2-yloxypropyl)phthalazine-6-carbonitrile Formula: C25H27ClN4O4 MolecularWeight: 482.95928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN(C(=O)C3=C2C=C(C=C3)C#N)CCCOC4CCCCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN(C(=O)C3=C2C=C(C=C3)C#N)CCCOC4CCCCO4)Cl

InChI

InChI=1S/C25H27ClN4O4/c1-32-22-9-7-18(14-21(22)26)16-28-24-20-13-17(15-27)6-8-19(20)25(31)30(29-24)10-4-12-34-23-5-2-3-11-33-23/h6-9,13-14,23H,2-5,10-12,16H2,1H3,(H,28,29)