methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate Openeye Name: methyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[4-piperidyl(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[4-piperidinyl(pyridin-4-ylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[4-piperidyl(4-pyridylmethyl)amino]benzoic acid methyl ester Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)N(CC3=CC=NC=C3)C4CCNCC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)N(CC3=CC=NC=C3)C4CCNCC4

InChI

InChI=1S/C25H26ClN5O3/c1-34-25(33)18-2-4-21(24(32)30-23-5-3-19(26)15-29-23)22(14-18)31(20-8-12-28-13-9-20)16-17-6-10-27-11-7-17/h2-7,10-11,14-15,20,28H,8-9,12-13,16H2,1H3,(H,29,30,32)