1-(2-chloroethyl)azepane; 1-(2-chloroethyl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(2-chloroethyl)piperazine; 1-(2-chloroethyl)azepane CAS Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(2-chloroethyl)piperazine; 1-(2-chloroethyl)azepane Traditional Name: 1-benzyl-4-(2-chloroethyl)piperazine; 1-(2-chloroethyl)azepane Formula: C21H35Cl2N3 MolecularWeight: 400.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCl.C1CN(CCN1CCCl)CC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CCCl.C1CN(CCN1CCCl)CC2=CC=CC=C2

InChI

InChI=1S/C13H19ClN2.C8H16ClN/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13;9-5-8-10-6-3-1-2-4-7-10/h1-5H,6-12H2;1-8H2