6-[(2-azanyl-2-methyl-propanoyl)amino]-5-(1H-indol-3-yl)-1-isoquinolin-7-yl-6-propanoyl-cyclohex-2-ene-1-carboxamide

Systemtic Name: 6-[(2-azanyl-2-methyl-propanoyl)amino]-5-(1H-indol-3-yl)-1-isoquinolin-7-yl-6-propanoyl-cyclohex-2-ene-1-carboxamide Openeye Name: 6-[(2-amino-2-methyl-propanoyl)amino]-5-(1H-indol-3-yl)-1-(7-isoquinolyl)-6-propanoyl-cyclohex-2-ene-1-carboxamide CAS Name: 6-[(2-amino-2-methyl-1-oxopropyl)amino]-5-(1H-indol-3-yl)-1-(7-isoquinolinyl)-6-(1-oxopropyl)-1-cyclohex-2-enecarboxamide IUPAC Name: 6-[(2-amino-2-methylpropanoyl)amino]-5-(1H-indol-3-yl)-1-isoquinolin-7-yl-6-propanoylcyclohex-2-ene-1-carboxamide Traditional Name: 6-[(2-amino-2-methyl-propanoyl)amino]-5-(1H-indol-3-yl)-1-(7-isoquinolyl)-6-propionyl-cyclohex-2-ene-1-carboxamide Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(CC=CC1(C2=CC3=C(C=C2)C=CN=C3)C(=O)N)C4=CNC5=CC=CC=C54)NC(=O)C(C)(C)N

Isomeric SMILES

CCC(=O)C1(C(CC=CC1(C2=CC3=C(C=C2)C=CN=C3)C(=O)N)C4=CNC5=CC=CC=C54)NC(=O)C(C)(C)N

InChI

InChI=1S/C31H33N5O3/c1-4-26(37)31(36-28(39)29(2,3)33)24(23-18-35-25-10-6-5-8-22(23)25)9-7-14-30(31,27(32)38)21-12-11-19-13-15-34-17-20(19)16-21/h5-8,10-18,24,35H,4,9,33H2,1-3H3,(H2,32,38)(H,36,39)