N-[3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]ethanamide Openeye Name: N-[3-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]acetamide CAS Name: N-[3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]phenyl]acetamide IUPAC Name: N-[3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]phenyl]acetamide Traditional Name: N-[3-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]phenyl]acetamide Formula: C25H20ClN5O MolecularWeight: 441.9122

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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-])C4=CC(=CC=C4)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CC(=CC=C4)NC(=O)C)Cl

InChI

InChI=1S/C25H20ClN5O/c1-15-7-8-17(11-23(15)26)14-28-25-22-13-19(27-3)9-10-21(22)24(30-31-25)18-5-4-6-20(12-18)29-16(2)32/h4-13H,14H2,1-2H3,(H,28,31)(H,29,32)