[1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol

Systemtic Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[4-[(3,4-dimethylbenzyl)amino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C23H25N5O MolecularWeight: 387.4775

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O/c1-15-4-5-17(10-16(15)2)12-25-22-21-11-19(24-3)6-7-20(21)23(27-26-22)28-9-8-18(13-28)14-29/h4-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H,25,26)