2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]propan-1-ol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]propan-1-ol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propan-1-ol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]-1-propanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]propan-1-ol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propan-1-ol Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(CO)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H28ClN5O2/c1-16(15-32)18-8-10-31(11-9-18)25-20-6-5-19(27-2)13-21(20)24(29-30-25)28-14-17-4-7-23(33-3)22(26)12-17/h4-7,12-13,16,18,32H,8-11,14-15H2,1,3H3,(H,28,29)