6-[4-[4-(phenylmethyl)phthalazin-1-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(phenylmethyl)phthalazin-1-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)-1,4-diazepan-1-yl]nicotinonitrile Formula: C26H24N6 MolecularWeight: 420.50896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2