2-[1-(1H-indol-3-yl)-2-nitro-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[1-(1H-indol-3-yl)-2-nitro-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[1-(1H-indol-3-yl)-2-nitro-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[1-(1H-indol-3-yl)-2-nitroethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[1-(1H-indol-3-yl)-2-nitroethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[1-(1H-indol-3-yl)-2-nitro-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)N

Isomeric SMILES

C1CCC(=NC(C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C16H20N4O2/c17-16-8-4-3-7-15(19-16)13(10-20(21)22)12-9-18-14-6-2-1-5-11(12)14/h1-2,5-6,9,13,15,18H,3-4,7-8,10H2,(H2,17,19)