6-[2-[[6-(4-ethylphenyl)-5-(4-methyl-2-oxidanylidene-piperazin-1-yl)pyridin-2-yl]-methyl-amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[6-(4-ethylphenyl)-5-(4-methyl-2-oxidanylidene-piperazin-1-yl)pyridin-2-yl]-methyl-amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[6-(4-ethylphenyl)-5-(4-methyl-2-oxo-piperazin-1-yl)-2-pyridyl]-methyl-amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[6-(4-ethylphenyl)-5-(4-methyl-2-oxo-1-piperazinyl)-2-pyridinyl]-methylamino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[6-(4-ethylphenyl)-5-(4-methyl-2-oxopiperazin-1-yl)pyridin-2-yl]-methylamino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[6-(4-ethylphenyl)-5-(2-keto-4-methyl-piperazino)-2-pyridyl]-methyl-amino]ethylamino]nicotinonitrile Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C=CC(=N2)N(C)CCNC3=NC=C(C=C3)C#N)N4CCN(CC4=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C=CC(=N2)N(C)CCNC3=NC=C(C=C3)C#N)N4CCN(CC4=O)C

InChI

InChI=1S/C27H31N7O/c1-4-20-5-8-22(9-6-20)27-23(34-16-15-32(2)19-26(34)35)10-12-25(31-27)33(3)14-13-29-24-11-7-21(17-28)18-30-24/h5-12,18H,4,13-16,19H2,1-3H3,(H,29,30)