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

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C29H25BrN4O2 MolecularWeight: 541.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C29H25BrN4O2/c30-24-9-3-8-22(15-24)28(35)33-25-10-11-27(34-14-12-21-6-1-2-7-23(21)19-34)26(16-25)29(36)32-18-20-5-4-13-31-17-20/h1-11,13,15-17H,12,14,18-19H2,(H,32,36)(H,33,35)