N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-[3-(dimethylamino)prop-1-ynyl]-7-isocyano-phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-[3-(dimethylamino)prop-1-ynyl]-7-isocyano-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-4-[3-(dimethylamino)prop-1-ynyl]-7-isocyano-phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-[3-(dimethylamino)prop-1-ynyl]-7-isocyano-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-[3-(dimethylamino)prop-1-ynyl]-7-isocyanophthalazin-1-amine Traditional Name: 3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]prop-2-ynyl-dimethyl-amine Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

Isomeric SMILES

CN(C)CC#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

InChI

InChI=1S/C22H20ClN5O/c1-24-16-8-9-17-18(13-16)22(27-26-20(17)6-5-11-28(2)3)25-14-15-7-10-21(29-4)19(23)12-15/h7-10,12-13H,11,14H2,2-4H3,(H,25,27)