5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methoxy-benzenecarbonitrile Openeye Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile CAS Name: 5-[[[4-[3-(hydroxymethyl)-1-pyrrolidinyl]-7-isocyano-1-phthalazinyl]amino]methyl]-2-methoxybenzonitrile IUPAC Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyanophthalazin-1-yl]amino]methyl]-2-methoxybenzonitrile Traditional Name: 5-[[[7-isocyano-4-(3-methylolpyrrolidino)phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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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-])N4CCC(C4)CO)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)C#N

InChI

InChI=1S/C23H22N6O2/c1-25-18-4-5-19-20(10-18)22(27-28-23(19)29-8-7-16(13-29)14-30)26-12-15-3-6-21(31-2)17(9-15)11-24/h3-6,9-10,16,30H,7-8,12-14H2,2H3,(H,26,27)