3-azanyl-4-[[3-[(4S)-6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[3-[(4S)-6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]cyclobut-3-ene-1,2-quinone Formula: C20H17Cl2N3O2 MolecularWeight: 402.27388

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=CC=C3)NC4=C(C(=O)C4=O)N

Isomeric SMILES

CN1C[C@H](C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=CC=C3)NC4=C(C(=O)C4=O)N

InChI

InChI=1S/C20H17Cl2N3O2/c1-25-8-14(13-6-11(21)7-16(22)15(13)9-25)10-3-2-4-12(5-10)24-18-17(23)19(26)20(18)27/h2-7,14,24H,8-9,23H2,1H3/t14-/m0/s1