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

Systemtic Name: 1-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]ethanol Openeye Name: 1-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]ethanol CAS Name: 1-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]ethanol IUPAC Name: 1-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]ethanol Traditional Name: 1-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]ethanol Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O2/c1-15(31)17-8-10-30(11-9-17)24-19-6-5-18(26-2)13-20(19)23(28-29-24)27-14-16-4-7-22(32-3)21(25)12-16/h4-7,12-13,15,17,31H,8-11,14H2,1,3H3,(H,27,28)