[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-2-yl]methanol

Systemtic Name: [1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-2-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-2-yl]methanol CAS Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-pyrrolidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-2-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]pyrrolidin-2-yl]methanol Formula: C22H22ClN5O MolecularWeight: 407.89598

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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-])N4CCCC4CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC4CO)Cl

InChI

InChI=1S/C22H22ClN5O/c1-14-5-6-15(10-20(14)23)12-25-21-19-11-16(24-2)7-8-18(19)22(27-26-21)28-9-3-4-17(28)13-29/h5-8,10-11,17,29H,3-4,9,12-13H2,1H3,(H,25,26)