tert-butyl N-[4-[(1-chloranyl-4-ethenyl-isoquinolin-5-yl)amino]cyclohexyl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[4-[(1-chloranyl-4-ethenyl-isoquinolin-5-yl)amino]cyclohexyl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[4-[(1-chloro-4-vinyl-5-isoquinolyl)amino]cyclohexyl]carbamate CAS Name: N-[4-[(1-chloro-4-ethenyl-5-isoquinolinyl)amino]cyclohexyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[4-[(1-chloro-4-ethenylisoquinolin-5-yl)amino]cyclohexyl]carbamate Traditional Name: N-benzyl-N-[4-[(1-chloro-4-vinyl-5-isoquinolyl)amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C29H34ClN3O2 MolecularWeight: 492.05216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CCC(CC2)NC3=CC=CC4=C3C(=CN=C4Cl)C=C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CCC(CC2)NC3=CC=CC4=C3C(=CN=C4Cl)C=C

InChI

InChI=1S/C29H34ClN3O2/c1-5-21-18-31-27(30)24-12-9-13-25(26(21)24)32-22-14-16-23(17-15-22)33(28(34)35-29(2,3)4)19-20-10-7-6-8-11-20/h5-13,18,22-23,32H,1,14-17,19H2,2-4H3