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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-(4-amino-1-piperidyl)-N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-(4-amino-1-piperidinyl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: [4-(4-aminopiperidino)-7-isocyano-phthalazin-1-yl]-(3-chloro-4-methyl-benzyl)amine Formula: C22H23ClN6 MolecularWeight: 406.91122

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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(CC4)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6/c1-14-3-4-15(11-20(14)23)13-26-21-19-12-17(25-2)5-6-18(19)22(28-27-21)29-9-7-16(24)8-10-29/h3-6,11-12,16H,7-10,13,24H2,1H3,(H,26,27)