methyl 3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate

Systemtic Name: methyl 3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate Openeye Name: methyl 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[[1-(4-pyridyl)-4-piperidyl]methylamino]benzoate CAS Name: 3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-[(1-pyridin-4-yl-4-piperidinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-chloropyridin-2-yl)carbamoyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate Traditional Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[[1-(4-pyridyl)-4-piperidyl]methylamino]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)NCC2CCN(CC2)C3=CC=NC=C3)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2CCN(CC2)C3=CC=NC=C3)C(=O)NC4=NC=C(C=C4)Cl

InChI

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