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

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(4-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=C(C=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=C(C=C4)Br)C(=O)NCC5=CN=CC=C5

InChI

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