2-azanyl-3-[(2S,3S)-2,3-dipropylaziridin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-azanyl-3-[(2S,3S)-2,3-dipropylaziridin-1-yl]naphthalene-1,4-dione Openeye Name: 2-amino-3-[(2S,3S)-2,3-dipropylaziridin-1-yl]naphthalene-1,4-dione CAS Name: 2-amino-3-[(2S,3S)-2,3-dipropyl-1-aziridinyl]naphthalene-1,4-dione IUPAC Name: 2-amino-3-[(2S,3S)-2,3-dipropylaziridin-1-yl]naphthalene-1,4-dione Traditional Name: 2-amino-3-[(2S,3S)-2,3-dipropylethylenimin-1-yl]-1,4-naphthoquinone Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(N1C2=C(C(=O)C3=CC=CC=C3C2=O)N)CCC

Isomeric SMILES

CCC[C@H]1[C@@H](N1C2=C(C(=O)C3=CC=CC=C3C2=O)N)CCC

InChI

InChI=1S/C18H22N2O2/c1-3-7-13-14(8-4-2)20(13)16-15(19)17(21)11-9-5-6-10-12(11)18(16)22/h5-6,9-10,13-14H,3-4,7-8,19H2,1-2H3/t13-,14-/m0/s1