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

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O3/c1-34-15-5-13-29-27(33)24-17-23(30-26(32)20-8-4-9-22(28)16-20)10-11-25(24)31-14-12-19-6-2-3-7-21(19)18-31/h2-4,6-11,16-17H,5,12-15,18H2,1H3,(H,29,33)(H,30,32)