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

Systemtic Name: 5-[(4-butoxyphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(4-butoxyphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C33H34N4O3/c1-2-3-19-40-29-13-10-26(11-14-29)32(38)36-28-12-15-31(37-18-16-25-8-4-5-9-27(25)23-37)30(20-28)33(39)35-22-24-7-6-17-34-21-24/h4-15,17,20-21H,2-3,16,18-19,22-23H2,1H3,(H,35,39)(H,36,38)