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

Systemtic Name: [1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-fluoranyl-pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-fluoro-pyrrolidin-3-yl]methanol CAS Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-fluoro-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-3-fluoropyrrolidin-3-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-3-fluoro-pyrrolidin-3-yl]methanol Formula: C22H21ClFN5O MolecularWeight: 425.886443

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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-])N4CCC(C4)(CO)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)(CO)F)Cl

InChI

InChI=1S/C22H21ClFN5O/c1-14-3-4-15(9-19(14)23)11-26-20-18-10-16(25-2)5-6-17(18)21(28-27-20)29-8-7-22(24,12-29)13-30/h3-6,9-10,30H,7-8,11-13H2,1H3,(H,26,27)