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

Systemtic Name: [1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-3-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol Formula: C23H24ClN5O MolecularWeight: 421.92256

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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-])N4CCCC(C4)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)CO)Cl

InChI

InChI=1S/C23H24ClN5O/c1-15-5-6-16(10-21(15)24)12-26-22-20-11-18(25-2)7-8-19(20)23(28-27-22)29-9-3-4-17(13-29)14-30/h5-8,10-11,17,30H,3-4,9,12-14H2,1H3,(H,26,27)