2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitro-nicotinonitrile Formula: C18H16FN5O3 MolecularWeight: 369.349743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O3/c19-15-4-1-3-13(9-15)18(25)23-6-2-5-22(7-8-23)17-14(11-20)10-16(12-21-17)24(26)27/h1,3-4,9-10,12H,2,5-8H2