2-[4-(8-nitroisoquinolin-5-yl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)-1,4-diazepan-1-yl]acetamide Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-14(2)21-19(25)13-22-8-3-9-23(11-10-22)17-4-5-18(24(26)27)16-12-20-7-6-15(16)17/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,21,25)