6-methyl-6-nitro-1,4-bis(phenylmethyl)-1,4-diazepane

Systemtic Name: 6-methyl-6-nitro-1,4-bis(phenylmethyl)-1,4-diazepane Openeye Name: 1,4-dibenzyl-6-methyl-6-nitro-1,4-diazepane CAS Name: 6-methyl-6-nitro-1,4-bis(phenylmethyl)-1,4-diazepane IUPAC Name: 1,4-dibenzyl-6-methyl-6-nitro-1,4-diazepane Traditional Name: 1,4-dibenzyl-6-methyl-6-nitro-1,4-diazepane Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(CN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-20(23(24)25)16-21(14-18-8-4-2-5-9-18)12-13-22(17-20)15-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3