(2-azanyl-2-oxidanylidene-ethyl) N-(5-isoquinolin-4-ylpentyl)carbamate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) N-(5-isoquinolin-4-ylpentyl)carbamate Openeye Name: (2-amino-2-oxo-ethyl) N-[5-(4-isoquinolyl)pentyl]carbamate CAS Name: N-[5-(4-isoquinolinyl)pentyl]carbamic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) N-(5-isoquinolin-4-ylpentyl)carbamate Traditional Name: N-[5-(4-isoquinolyl)pentyl]carbamic acid (2-amino-2-keto-ethyl) ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CCCCCNC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CCCCCNC(=O)OCC(=O)N

InChI

InChI=1S/C17H21N3O3/c18-16(21)12-23-17(22)20-9-5-1-2-6-13-10-19-11-14-7-3-4-8-15(13)14/h3-4,7-8,10-11H,1-2,5-6,9,12H2,(H2,18,21)(H,20,22)