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

Systemtic Name: 5-[(4-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(4-butylphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

InChI

InChI=1S/C31H37N3O3/c1-3-4-8-23-11-13-25(14-12-23)30(35)33-27-15-16-29(28(21-27)31(36)32-18-7-20-37-2)34-19-17-24-9-5-6-10-26(24)22-34/h5-6,9-16,21H,3-4,7-8,17-20,22H2,1-2H3,(H,32,36)(H,33,35)