N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methoxyiminopiperidin-1-yl)phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methoxyiminopiperidin-1-yl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methoxyimino-1-piperidyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methoxyimino-1-piperidinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methoxyiminopiperidin-1-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(4-methyloximinopiperidino)phthalazin-1-yl]amine Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=NOC)CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=NOC)CC4)Cl

InChI

InChI=1S/C23H23ClN6O2/c1-25-17-5-6-18-19(13-17)22(26-14-15-4-7-21(31-2)20(24)12-15)27-28-23(18)30-10-8-16(9-11-30)29-32-3/h4-7,12-13H,8-11,14H2,2-3H3,(H,26,27)