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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-4-(4-methylidenepiperidin-1-yl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-4-(4-methylene-1-piperidyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-(4-methylene-1-piperidinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-(4-methylidenepiperidin-1-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methyl-benzyl)-[7-isocyano-4-(4-methylenepiperidino)phthalazin-1-yl]amine Formula: C23H22ClN5 MolecularWeight: 403.90728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=C)CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=C)CC4)Cl

InChI

InChI=1S/C23H22ClN5/c1-15-8-10-29(11-9-15)23-19-7-6-18(25-3)13-20(19)22(27-28-23)26-14-17-5-4-16(2)21(24)12-17/h4-7,12-13H,1,8-11,14H2,2H3,(H,26,27)