1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3,4-dimethylbenzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol 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(CC4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)C

InChI

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