4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]pyrimidine-5-carbonitrile CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-2-[4-(2-pyrrolidinoethyl)piperidino]pyrimidine-5-carbonitrile Formula: C23H28Cl2N6 MolecularWeight: 459.41462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2CCN(CC2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

C1CCN(C1)CCC2CCN(CC2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C23H28Cl2N6/c24-20-4-3-18(21(25)13-20)15-27-22-19(14-26)16-28-23(29-22)31-11-6-17(7-12-31)5-10-30-8-1-2-9-30/h3-4,13,16-17H,1-2,5-12,15H2,(H,27,28,29)