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

Systemtic Name: 1-[4-[(3-ethyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-ethyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-ethyl-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-ethyl-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-ethyl-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)OC

InChI

InChI=1S/C24H27N5O2/c1-4-17-13-16(5-8-22(17)31-3)15-26-23-21-14-18(25-2)6-7-20(21)24(28-27-23)29-11-9-19(30)10-12-29/h5-8,13-14,19,30H,4,9-12,15H2,1,3H3,(H,26,27)