1-[2-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethyl]cyclopentan-1-ol

Systemtic Name: 1-[2-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethyl]cyclopentan-1-ol Openeye Name: 1-[2-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethyl]cyclopentanol CAS Name: 1-[2-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]ethyl]-1-cyclopentanol IUPAC Name: 1-[2-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]ethyl]cyclopentan-1-ol Traditional Name: 1-[2-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]ethyl]cyclopentanol Formula: C24H25ClN4O MolecularWeight: 420.9345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])CCC4(CCCC4)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])CCC4(CCCC4)O)Cl

InChI

InChI=1S/C24H25ClN4O/c1-16-5-6-17(13-21(16)25)15-27-23-20-14-18(26-2)7-8-19(20)22(28-29-23)9-12-24(30)10-3-4-11-24/h5-8,13-14,30H,3-4,9-12,15H2,1H3,(H,27,29)