tert-butyl N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]carbamate CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]carbamic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)C(=NC=C2)N)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)C(=NC=C2)N)C(=O)N3CCCCC3

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)25-18(20(27)26-11-5-4-6-12-26)14-15-7-8-17-16(13-15)9-10-24-19(17)23/h7-10,13,18H,4-6,11-12,14H2,1-3H3,(H2,23,24)(H,25,28)