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

Systemtic Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methyl-benzenecarbonitrile Openeye Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methyl-benzonitrile CAS Name: 5-[[[4-[3-(hydroxymethyl)-1-pyrrolidinyl]-7-isocyano-1-phthalazinyl]amino]methyl]-2-methylbenzonitrile IUPAC Name: 5-[[[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-isocyanophthalazin-1-yl]amino]methyl]-2-methylbenzonitrile Traditional Name: 5-[[[7-isocyano-4-(3-methylolpyrrolidino)phthalazin-1-yl]amino]methyl]-2-methyl-benzonitrile Formula: C23H22N6O MolecularWeight: 398.46038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)C#N

InChI

InChI=1S/C23H22N6O/c1-15-3-4-16(9-18(15)11-24)12-26-22-21-10-19(25-2)5-6-20(21)23(28-27-22)29-8-7-17(13-29)14-30/h3-6,9-10,17,30H,7-8,12-14H2,1H3,(H,26,27)