4-(azepan-1-yl)-N-isoquinolin-5-yl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-isoquinolin-5-yl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(5-isoquinolyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(5-isoquinolinyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-isoquinolin-5-yl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(5-isoquinolyl)-3-nitro-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c27-22(24-19-7-5-6-17-15-23-11-10-18(17)19)16-8-9-20(21(14-16)26(28)29)25-12-3-1-2-4-13-25/h5-11,14-15H,1-4,12-13H2,(H,24,27)