2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(phenylcarbamoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(phenylcarbamoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(phenylcarbamoylamino)benzamide CAS Name: 5-[[anilino(oxo)methyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(phenylcarbamoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(phenylcarbamoylamino)benzamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H32N4O3/c1-2-35-18-8-16-29-27(33)25-19-24(31-28(34)30-23-11-4-3-5-12-23)13-14-26(25)32-17-15-21-9-6-7-10-22(21)20-32/h3-7,9-14,19H,2,8,15-18,20H2,1H3,(H,29,33)(H2,30,31,34)