tert-butyl N-[4-[(7-chloranylisoquinolin-3-yl)carbonylamino]-1-methanoyl-piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(7-chloranylisoquinolin-3-yl)carbonylamino]-1-methanoyl-piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[4-[(7-chloroisoquinoline-3-carbonyl)amino]-1-formyl-3-piperidyl]carbamate CAS Name: N-[4-[[(7-chloro-3-isoquinolinyl)-oxomethyl]amino]-1-formyl-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(7-chloroisoquinoline-3-carbonyl)amino]-1-formylpiperidin-3-yl]carbamate Traditional Name: N-[4-[(7-chloroisoquinoline-3-carbonyl)amino]-1-formyl-3-piperidyl]carbamic acid tert-butyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CCC1NC(=O)C2=NC=C3C=C(C=CC3=C2)Cl)C=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(CCC1NC(=O)C2=NC=C3C=C(C=CC3=C2)Cl)C=O

InChI

InChI=1S/C21H25ClN4O4/c1-21(2,3)30-20(29)25-18-11-26(12-27)7-6-16(18)24-19(28)17-9-13-4-5-15(22)8-14(13)10-23-17/h4-5,8-10,12,16,18H,6-7,11H2,1-3H3,(H,24,28)(H,25,29)