4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(dimethylamino)prop-1-ynyl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(dimethylamino)prop-1-ynyl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-(dimethylamino)prop-1-ynyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(dimethylamino)prop-1-ynyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(dimethylamino)prop-1-ynyl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[3-(dimethylamino)prop-1-ynyl]phthalazine-6-carbonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CN(C)CC#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C22H20ClN5O/c1-28(2)10-4-5-20-17-8-6-15(13-24)11-18(17)22(27-26-20)25-14-16-7-9-21(29-3)19(23)12-16/h6-9,11-12H,10,14H2,1-3H3,(H,25,27)