N-(2-methylphenyl)-1,4-dipropyl-piperazine-2-carboxamide; nitrous acid

Systemtic Name: N-(2-methylphenyl)-1,4-dipropyl-piperazine-2-carboxamide; nitrous acid Openeye Name: nitrous acid; N-(o-tolyl)-1,4-dipropyl-piperazine-2-carboxamide CAS Name: N-(2-methylphenyl)-1,4-dipropyl-2-piperazinecarboxamide; nitrous acid IUPAC Name: N-(2-methylphenyl)-1,4-dipropylpiperazine-2-carboxamide; nitrous acid Traditional Name: nitrous acid; N-(o-tolyl)-1,4-dipropyl-piperazine-2-carboxamide Formula: C18H31N5O5 MolecularWeight: 397.46924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C(C1)C(=O)NC2=CC=CC=C2C)CCC.N(=O)O.N(=O)O

Isomeric SMILES

CCCN1CCN(C(C1)C(=O)NC2=CC=CC=C2C)CCC.N(=O)O.N(=O)O

InChI

InChI=1S/C18H29N3O.2HNO2/c1-4-10-20-12-13-21(11-5-2)17(14-20)18(22)19-16-9-7-6-8-15(16)3;2*2-1-3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22);2*(H,2,3)