N-butan-2-yl-5-[2-(4-chloranylphenoxy)ethanoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: N-butan-2-yl-5-[2-(4-chloranylphenoxy)ethanoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: N-butan-2-yl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30ClN3O3/c1-3-19(2)30-28(34)25-16-23(31-27(33)18-35-24-11-8-22(29)9-12-24)10-13-26(25)32-15-14-20-6-4-5-7-21(20)17-32/h4-13,16,19H,3,14-15,17-18H2,1-2H3,(H,30,34)(H,31,33)