N-[2-(3-chloranyl-4-methyl-phenyl)ethyl]-7-isocyano-4-(4-methylpiperidin-1-yl)phthalazin-1-amine

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)ethyl]-7-isocyano-4-(4-methylpiperidin-1-yl)phthalazin-1-amine Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)ethyl]-7-isocyano-4-(4-methyl-1-piperidyl)phthalazin-1-amine CAS Name: N-[2-(3-chloro-4-methylphenyl)ethyl]-7-isocyano-4-(4-methyl-1-piperidinyl)-1-phthalazinamine IUPAC Name: N-[2-(3-chloro-4-methylphenyl)ethyl]-7-isocyano-4-(4-methylpiperidin-1-yl)phthalazin-1-amine Traditional Name: 2-(3-chloro-4-methyl-phenyl)ethyl-[7-isocyano-4-(4-methylpiperidino)phthalazin-1-yl]amine Formula: C24H26ClN5 MolecularWeight: 419.94974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCCC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCCC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C24H26ClN5/c1-16-9-12-30(13-10-16)24-20-7-6-19(26-3)15-21(20)23(28-29-24)27-11-8-18-5-4-17(2)22(25)14-18/h4-7,14-16H,8-13H2,1-2H3,(H,27,28)