N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-7-isocyano-4-(4-methoxypiperidin-1-yl)phthalazin-1-amine

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-7-isocyano-4-(4-methoxypiperidin-1-yl)phthalazin-1-amine Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)ethyl]-7-isocyano-4-(4-methoxy-1-piperidyl)phthalazin-1-amine CAS Name: N-[2-(3-chloro-4-methoxyphenyl)ethyl]-7-isocyano-4-(4-methoxy-1-piperidinyl)-1-phthalazinamine IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)ethyl]-7-isocyano-4-(4-methoxypiperidin-1-yl)phthalazin-1-amine Traditional Name: 2-(3-chloro-4-methoxy-phenyl)ethyl-[7-isocyano-4-(4-methoxypiperidino)phthalazin-1-yl]amine Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

COC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCCC4=CC(=C(C=C4)OC)Cl

InChI

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