2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-5-nitro-benzonitrile Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H24N4O3/c20-14-16-13-17(23(25)26)5-6-18(16)21-11-7-15(8-12-21)19(24)22-9-3-1-2-4-10-22/h5-6,13,15H,1-4,7-12H2