2-chloranyl-3-(3-imidazol-1-ylpropylamino)naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(3-imidazol-1-ylpropylamino)naphthalene-1,4-dione Openeye Name: 2-chloro-3-(3-imidazol-1-ylpropylamino)naphthalene-1,4-dione CAS Name: 2-chloro-3-[3-(1-imidazolyl)propylamino]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-(3-imidazol-1-ylpropylamino)naphthalene-1,4-dione Traditional Name: 2-chloro-3-(3-imidazol-1-ylpropylamino)-1,4-naphthoquinone Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN3C=CN=C3

InChI

InChI=1S/C16H14ClN3O2/c17-13-14(19-6-3-8-20-9-7-18-10-20)16(22)12-5-2-1-4-11(12)15(13)21/h1-2,4-5,7,9-10,19H,3,6,8H2