4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]benzonitrile CAS Name: 4-[[4-(pyridin-4-ylmethyl)-1-phthalazinyl]amino]benzonitrile IUPAC Name: 4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]benzonitrile Formula: C21H15N5 MolecularWeight: 337.3773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)C#N)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)C#N)CC4=CC=NC=C4

InChI

InChI=1S/C21H15N5/c22-14-16-5-7-17(8-6-16)24-21-19-4-2-1-3-18(19)20(25-26-21)13-15-9-11-23-12-10-15/h1-12H,13H2,(H,24,26)