tert-butyl N-[4-[(4-ethenylisoquinolin-5-yl)amino]cyclohexyl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[4-[(4-ethenylisoquinolin-5-yl)amino]cyclohexyl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[4-[(4-vinyl-5-isoquinolyl)amino]cyclohexyl]carbamate CAS Name: N-[4-[(4-ethenyl-5-isoquinolinyl)amino]cyclohexyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[4-[(4-ethenylisoquinolin-5-yl)amino]cyclohexyl]carbamate Traditional Name: N-benzyl-N-[4-[(4-vinyl-5-isoquinolyl)amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C29H35N3O2 MolecularWeight: 457.6071

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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=CN=CC(=C43)C=C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CCC(CC2)NC3=CC=CC4=CN=CC(=C43)C=C

InChI

InChI=1S/C29H35N3O2/c1-5-22-18-30-19-23-12-9-13-26(27(22)23)31-24-14-16-25(17-15-24)32(28(33)34-29(2,3)4)20-21-10-7-6-8-11-21/h5-13,18-19,24-25,31H,1,14-17,20H2,2-4H3