3-methyl-4-oxidanyl-5-[2-[(phenylmethyl)amino]propan-2-ylamino]naphthalene-1,2-dione

Systemtic Name: 3-methyl-4-oxidanyl-5-[2-[(phenylmethyl)amino]propan-2-ylamino]naphthalene-1,2-dione Openeye Name: 5-[[1-(benzylamino)-1-methyl-ethyl]amino]-4-hydroxy-3-methyl-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-methyl-5-[2-[(phenylmethyl)amino]propan-2-ylamino]naphthalene-1,2-dione IUPAC Name: 5-[2-(benzylamino)propan-2-ylamino]-4-hydroxy-3-methylnaphthalene-1,2-dione Traditional Name: 5-[[1-(benzylamino)-1-methyl-ethyl]amino]-4-hydroxy-3-methyl-1,2-naphthoquinone Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2NC(C)(C)NCC3=CC=CC=C3)C(=O)C1=O)O

Isomeric SMILES

CC1=C(C2=C(C=CC=C2NC(C)(C)NCC3=CC=CC=C3)C(=O)C1=O)O

InChI

InChI=1S/C21H22N2O3/c1-13-18(24)17-15(20(26)19(13)25)10-7-11-16(17)23-21(2,3)22-12-14-8-5-4-6-9-14/h4-11,22-24H,12H2,1-3H3