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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(phenylcarbamoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(phenylcarbamoylamino)benzamide CAS Name: 5-[[anilino(oxo)methyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(phenylcarbamoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(phenylcarbamoylamino)benzamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-34-17-7-15-28-26(32)24-18-23(30-27(33)29-22-10-3-2-4-11-22)12-13-25(24)31-16-14-20-8-5-6-9-21(20)19-31/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,28,32)(H2,29,30,33)