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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-(4-amino-1-piperidyl)-N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-(4-amino-1-piperidinyl)-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: [4-(4-aminopiperidino)-7-isocyano-phthalazin-1-yl]-(3-chloro-4-methoxy-benzyl)amine Formula: C22H23ClN6O MolecularWeight: 422.91062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O/c1-25-16-4-5-17-18(12-16)21(26-13-14-3-6-20(30-2)19(23)11-14)27-28-22(17)29-9-7-15(24)8-10-29/h3-6,11-12,15H,7-10,13,24H2,2H3,(H,26,27)