ethyl 4-[[2-azanyl-4-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[[2-azanyl-4-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[2-amino-4-(1-piperidylmethyl)phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[2-amino-4-(1-piperidinylmethyl)phenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-amino-4-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-amino-4-(piperidinomethyl)benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=C(C=C3)CN4CCCCC4)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=C(C=C3)CN4CCCCC4)N

InChI

InChI=1S/C24H29N5O2S/c1-2-31-24(30)21-22(28-23(32-21)18-8-10-26-11-9-18)27-15-19-7-6-17(14-20(19)25)16-29-12-4-3-5-13-29/h6-11,14,27H,2-5,12-13,15-16,25H2,1H3