2-(azepan-1-yl)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-chloro-1,4-naphthoquinone Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C16H16ClNO2/c17-13-14(18-9-5-1-2-6-10-18)16(20)12-8-4-3-7-11(12)15(13)19/h3-4,7-8H,1-2,5-6,9-10H2