2-azanyl-3-[(2S,3R)-2-phenyl-3-(phenylmethyl)aziridin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-azanyl-3-[(2S,3R)-2-phenyl-3-(phenylmethyl)aziridin-1-yl]naphthalene-1,4-dione Openeye Name: 2-amino-3-[(2R,3S)-2-benzyl-3-phenyl-aziridin-1-yl]naphthalene-1,4-dione CAS Name: 2-amino-3-[(2S,3R)-2-phenyl-3-(phenylmethyl)-1-aziridinyl]naphthalene-1,4-dione IUPAC Name: 2-amino-3-[(2R,3S)-2-benzyl-3-phenylaziridin-1-yl]naphthalene-1,4-dione Traditional Name: 2-amino-3-[(2R,3S)-2-benzyl-3-phenyl-ethylenimin-1-yl]-1,4-naphthoquinone Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(N2C3=C(C(=O)C4=CC=CC=C4C3=O)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H](N2C3=C(C(=O)C4=CC=CC=C4C3=O)N)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2/c26-21-23(25(29)19-14-8-7-13-18(19)24(21)28)27-20(15-16-9-3-1-4-10-16)22(27)17-11-5-2-6-12-17/h1-14,20,22H,15,26H2/t20-,22+,27?/m1/s1