tert-butyl N-[[3-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-4-butoxy-2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-oxo-4H-isoquinolin-3-yl]methyl]carbamate CAS Name: N-[[3-[(E)-3-amino-3-oxoprop-1-enyl]-4-butoxy-2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-oxo-4H-isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[3-[(E)-3-amino-3-keto-prop-1-enyl]-4-butoxy-2-(cyclopropylmethyl)-1-keto-4H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester Formula: C26H37N3O5 MolecularWeight: 471.58908

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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)CC3CC3

Isomeric SMILES

CCCCOC1C2=CC=CC=C2C(=O)N(C1(CNC(=O)OC(C)(C)C)/C=C/C(=O)N)CC3CC3

InChI

InChI=1S/C26H37N3O5/c1-5-6-15-33-22-19-9-7-8-10-20(19)23(31)29(16-18-11-12-18)26(22,14-13-21(27)30)17-28-24(32)34-25(2,3)4/h7-10,13-14,18,22H,5-6,11-12,15-17H2,1-4H3,(H2,27,30)(H,28,32)/b14-13+