2-chloranyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N,N-diethyl-benzamide

Systemtic Name: 2-chloranyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N,N-diethyl-benzamide Openeye Name: 2-chloro-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-N,N-diethyl-benzamide CAS Name: 2-chloro-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 2-chloro-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N-diethylbenzamide Traditional Name: 2-chloro-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-N,N-diethyl-benzamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NCC(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NCC(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-3-25(4-2)22(28)19-10-9-18(13-20(19)23)24-14-21(27)26-12-11-16-7-5-6-8-17(16)15-26/h5-10,13,24H,3-4,11-12,14-15H2,1-2H3