5-[(4-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Formula: C28H30BrN3O3 MolecularWeight: 536.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30BrN3O3/c1-2-35-17-5-15-30-28(34)25-18-24(31-27(33)21-8-10-23(29)11-9-21)12-13-26(25)32-16-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,2,5,14-17,19H2,1H3,(H,30,34)(H,31,33)