6-[(3S)-3-methyl-4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[(3S)-3-methyl-4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[(3S)-4-(4-benzylphthalazin-1-yl)-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[(3S)-3-methyl-4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[(3S)-4-(4-benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[(3S)-4-(4-benzylphthalazin-1-yl)-3-methyl-piperazino]nicotinonitrile Formula: C26H24N6 MolecularWeight: 420.50896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5)C#N

Isomeric SMILES

C[C@H]1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1