4-(azepan-1-ylmethyl)-3-chloranyl-aniline

Systemtic Name: 4-(azepan-1-ylmethyl)-3-chloranyl-aniline Openeye Name: 4-(azepan-1-ylmethyl)-3-chloro-aniline CAS Name: 4-(1-azepanylmethyl)-3-chloroaniline IUPAC Name: 4-(azepan-1-ylmethyl)-3-chloroaniline Traditional Name: [4-(azepan-1-ylmethyl)-3-chloro-phenyl]amine Formula: C13H19ClN2 MolecularWeight: 238.75636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H19ClN2/c14-13-9-12(15)6-5-11(13)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10,15H2