6-[2-[[3-(2,4-dichlorophenyl)-4-(4-methyl-2-oxidanylidene-piperazin-1-yl)phenyl]-methyl-amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[3-(2,4-dichlorophenyl)-4-(4-methyl-2-oxidanylidene-piperazin-1-yl)phenyl]-methyl-amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[3-(2,4-dichlorophenyl)-N-methyl-4-(4-methyl-2-oxo-piperazin-1-yl)anilino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[3-(2,4-dichlorophenyl)-N-methyl-4-(4-methyl-2-oxo-1-piperazinyl)anilino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[3-(2,4-dichlorophenyl)-N-methyl-4-(4-methyl-2-oxopiperazin-1-yl)anilino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[3-(2,4-dichlorophenyl)-4-(2-keto-4-methyl-piperazino)-N-methyl-anilino]ethylamino]nicotinonitrile Formula: C26H26Cl2N6O MolecularWeight: 509.43024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(=O)C1)C2=C(C=C(C=C2)N(C)CCNC3=NC=C(C=C3)C#N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1CCN(C(=O)C1)C2=C(C=C(C=C2)N(C)CCNC3=NC=C(C=C3)C#N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H26Cl2N6O/c1-32-11-12-34(26(35)17-32)24-7-5-20(14-22(24)21-6-4-19(27)13-23(21)28)33(2)10-9-30-25-8-3-18(15-29)16-31-25/h3-8,13-14,16H,9-12,17H2,1-2H3,(H,30,31)