2-chloranyl-N-[2-[(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-(6-methyl-2,3-dihydro-p-dioxin-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OCCO1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(OCCO1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O4/c1-14-20(29-11-10-28-14)22(27)25-9-8-15-6-7-17(12-16(15)13-25)24-21(26)18-4-2-3-5-19(18)23/h2-7,12H,8-11,13H2,1H3,(H,24,26)