3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol

Systemtic Name: 3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol Openeye Name: 3-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol CAS Name: 3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-propyn-1-ol IUPAC Name: 3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]prop-2-yn-1-ol Traditional Name: 3-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)[N+]#[C-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)[N+]#[C-])Cl

InChI

InChI=1S/C20H15ClN4O/c1-13-5-6-14(10-18(13)21)12-23-20-17-11-15(22-2)7-8-16(17)19(24-25-20)4-3-9-26/h5-8,10-11,26H,9,12H2,1H3,(H,23,25)