azepan-2-one; hexanedioic acid; 2-piperazin-1-ylethanamine

Systemtic Name: azepan-2-one; hexanedioic acid; 2-piperazin-1-ylethanamine Openeye Name: adipic acid; azepan-2-one; 2-piperazin-1-ylethanamine CAS Name: 2-azepanone; hexanedioic acid; 2-(1-piperazinyl)ethanamine IUPAC Name: azepan-2-one; hexanedioic acid; 2-piperazin-1-ylethanamine Traditional Name: adipic acid; azepan-2-one; 2-piperazinoethylamine Formula: C18H36N4O5 MolecularWeight: 388.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C1CN(CCN1)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(=O)NCC1.C1CN(CCN1)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C6H15N3.C6H11NO.C6H10O4/c7-1-4-9-5-2-8-3-6-9;8-6-4-2-1-3-5-7-6;7-5(8)3-1-2-4-6(9)10/h8H,1-7H2;1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10)