4-[6-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pyridazin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pyridazin-3-yl]benzenecarbonitrile Openeye Name: 4-[6-[2-(1-benzyl-4-piperidyl)ethylamino]pyridazin-3-yl]benzonitrile CAS Name: 4-[6-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-3-pyridazinyl]benzonitrile IUPAC Name: 4-[6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazin-3-yl]benzonitrile Traditional Name: 4-[6-[2-(1-benzyl-4-piperidyl)ethylamino]pyridazin-3-yl]benzonitrile Formula: C25H27N5 MolecularWeight: 397.51538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC2=NN=C(C=C2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCNC2=NN=C(C=C2)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5/c26-18-21-6-8-23(9-7-21)24-10-11-25(29-28-24)27-15-12-20-13-16-30(17-14-20)19-22-4-2-1-3-5-22/h1-11,20H,12-17,19H2,(H,27,29)