N-[2-[[3-[3-(aminomethyl)-4-fluoranyl-phenyl]phenyl]methyl]-1,3-bis(oxidanylidene)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide hydrochloride

Systemtic Name: N-[2-[[3-[3-(aminomethyl)-4-fluoranyl-phenyl]phenyl]methyl]-1,3-bis(oxidanylidene)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide hydrochloride Openeye Name: N-[2-[[3-[3-(aminomethyl)-4-fluoro-phenyl]phenyl]methyl]-1,3-dioxo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide hydrochloride CAS Name: N-[2-[[3-[3-(aminomethyl)-4-fluorophenyl]phenyl]methyl]-1,3-dioxo-4-isoindolyl]-5-chloro-2-thiophenecarboxamide hydrochloride IUPAC Name: N-[2-[[3-[3-(aminomethyl)-4-fluorophenyl]phenyl]methyl]-1,3-dioxoisoindol-4-yl]-5-chlorothiophene-2-carboxamide hydrochloride Traditional Name: N-[2-[3-[3-(aminomethyl)-4-fluoro-phenyl]benzyl]-1,3-diketo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide hydrochloride Formula: C27H20Cl2FN3O3S MolecularWeight: 556.435403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)C5=CC(=C(C=C5)F)CN.Cl

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)C5=CC(=C(C=C5)F)CN.Cl

InChI

InChI=1S/C27H19ClFN3O3S.ClH/c28-23-10-9-22(36-23)25(33)31-21-6-2-5-19-24(21)27(35)32(26(19)34)14-15-3-1-4-16(11-15)17-7-8-20(29)18(12-17)13-30;/h1-12H,13-14,30H2,(H,31,33);1H