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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(4-methoxyiminopiperidin-1-yl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-4-(4-methoxyimino-1-piperidyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyimino-1-piperidinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyiminopiperidin-1-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[4-(4-methyloximinopiperidino)phthalazin-1-yl]amine Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(=NOC)CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(=NOC)CC4)Cl

InChI

InChI=1S/C22H24ClN5O2/c1-29-20-8-7-15(13-19(20)23)14-24-21-17-5-3-4-6-18(17)22(26-25-21)28-11-9-16(10-12-28)27-30-2/h3-8,13H,9-12,14H2,1-2H3,(H,24,25)