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

Systemtic Name: azepan-1-yl-[1-(5-nitroquinolin-8-yl)piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5-nitro-8-quinolyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(5-nitro-8-quinolinyl)-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(5-nitroquinolin-8-yl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(5-nitro-8-quinolyl)-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(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

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