azepan-1-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(8-nitro-5-isoquinolinyl)-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c26-21(24-11-3-1-2-4-12-24)16-8-13-23(14-9-16)19-5-6-20(25(27)28)18-15-22-10-7-17(18)19/h5-7,10,15-16H,1-4,8-9,11-14H2