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

Systemtic Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[4-[(3,4-dimethylbenzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol Formula: C24H27N5O MolecularWeight: 401.50408

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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)CO)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O/c1-16-4-5-19(12-17(16)2)14-26-23-22-13-20(25-3)6-7-21(22)24(28-27-23)29-10-8-18(15-30)9-11-29/h4-7,12-13,18,30H,8-11,14-15H2,1-2H3,(H,26,27)