tert-butyl 4-[[4-chloranyl-2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]-piperidin-4-ylcarbonyl-amino]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-chloranyl-2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]-piperidin-4-ylcarbonyl-amino]azepane-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-N-(piperidine-4-carbonyl)anilino]azepane-1-carboxylate CAS Name: 4-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-N-[oxo(4-piperidinyl)methyl]anilino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-N-(piperidine-4-carbonyl)anilino]azepane-1-carboxylate Traditional Name: 4-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-N-isonipecotoyl-anilino]azepane-1-carboxylic acid tert-butyl ester Formula: C29H37Cl2N5O4 MolecularWeight: 590.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)N(C2=C(C=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)Cl)C(=O)C4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)N(C2=C(C=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)Cl)C(=O)C4CCNCC4

InChI

InChI=1S/C29H37Cl2N5O4/c1-29(2,3)40-28(39)35-15-4-5-22(12-16-35)36(27(38)19-10-13-32-14-11-19)24-8-6-20(30)17-23(24)26(37)34-25-9-7-21(31)18-33-25/h6-9,17-19,22,32H,4-5,10-16H2,1-3H3,(H,33,34,37)