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

Systemtic Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-15-10-16(4-7-21(15)30-3)12-25-22-20-11-18(24-2)5-6-19(20)23(27-26-22)28-9-8-17(13-28)14-29/h4-7,10-11,17,29H,8-9,12-14H2,1,3H3,(H,25,26)