tert-butyl N-[[3-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-4H-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-4H-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(E)-3-amino-3-oxo-prop-1-enyl]-4-butoxy-2-isobutyl-1-oxo-4H-isoquinolin-3-yl]methyl]carbamate CAS Name: N-[[3-[(E)-3-amino-3-oxoprop-1-enyl]-4-butoxy-2-(2-methylpropyl)-1-oxo-4H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(E)-3-amino-3-oxoprop-1-enyl]-4-butoxy-2-(2-methylpropyl)-1-oxo-4H-isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[3-[(E)-3-amino-3-keto-prop-1-enyl]-4-butoxy-2-isobutyl-1-keto-4H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C2=CC=CC=C2C(=O)N(C1(CNC(=O)OC(C)(C)C)C=CC(=O)N)CC(C)C

Isomeric SMILES

CCCCOC1C2=CC=CC=C2C(=O)N(C1(CNC(=O)OC(C)(C)C)/C=C/C(=O)N)CC(C)C

InChI

InChI=1S/C26H39N3O5/c1-7-8-15-33-22-19-11-9-10-12-20(19)23(31)29(16-18(2)3)26(22,14-13-21(27)30)17-28-24(32)34-25(4,5)6/h9-14,18,22H,7-8,15-17H2,1-6H3,(H2,27,30)(H,28,32)/b14-13+