2-(5-nitrofuran-2-yl)-1,3-bis(phenylmethyl)-1,3-diazinane

Systemtic Name: 2-(5-nitrofuran-2-yl)-1,3-bis(phenylmethyl)-1,3-diazinane Openeye Name: 1,3-dibenzyl-2-(5-nitro-2-furyl)hexahydropyrimidine CAS Name: 2-(5-nitro-2-furanyl)-1,3-bis(phenylmethyl)-1,3-diazinane IUPAC Name: 1,3-dibenzyl-2-(5-nitrofuran-2-yl)-1,3-diazinane Traditional Name: 1,3-dibenzyl-2-(5-nitro-2-furyl)hexahydropyrimidine Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c26-25(27)21-13-12-20(28-21)22-23(16-18-8-3-1-4-9-18)14-7-15-24(22)17-19-10-5-2-6-11-19/h1-6,8-13,22H,7,14-17H2