3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]amino]propan-1-ol Openeye Name: 3-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]amino]propan-1-ol CAS Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]amino]-1-propanol IUPAC Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]amino]propan-1-ol Traditional Name: 3-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]amino]propan-1-ol Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])NCCCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])NCCCO)Cl

InChI

InChI=1S/C20H20ClN5O2/c1-22-14-5-6-15-16(11-14)20(26-25-19(15)23-8-3-9-27)24-12-13-4-7-18(28-2)17(21)10-13/h4-7,10-11,27H,3,8-9,12H2,2H3,(H,23,25)(H,24,26)