N-[(1-azanylisoquinolin-6-yl)methyl]-1-[2-[(3-methylthiophen-2-yl)methylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-azanylisoquinolin-6-yl)methyl]-1-[2-[(3-methylthiophen-2-yl)methylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-[(3-methyl-2-thienyl)methylamino]propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-amino-6-isoquinolinyl)methyl]-1-[2-[(3-methyl-2-thiophenyl)methylamino]-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-[(3-methylthiophen-2-yl)methylamino]propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-[(3-methyl-2-thienyl)methylamino]propanoyl]pyrrolidine-2-carboxamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(C)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC1=C(SC=C1)CNC(C)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C24H29N5O2S/c1-15-8-11-32-21(15)14-27-16(2)24(31)29-10-3-4-20(29)23(30)28-13-17-5-6-19-18(12-17)7-9-26-22(19)25/h5-9,11-12,16,20,27H,3-4,10,13-14H2,1-2H3,(H2,25,26)(H,28,30)