4-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide CAS Name: 4-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide Traditional Name: N-benzyl-4-(5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H19ClN2O3/c23-16-8-11-18-19(12-16)22(28)25(21(18)27)17-9-6-15(7-10-17)20(26)24-13-14-4-2-1-3-5-14/h1-10,18-19H,11-13H2,(H,24,26)