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

Systemtic Name: N-[(1-azanylisoquinolin-6-yl)methyl]-1-[2-(cyclohexylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-(cyclohexylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-amino-6-isoquinolinyl)methyl]-1-[2-(cyclohexylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-(cyclohexylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-(cyclohexylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C30H37N5O2 MolecularWeight: 499.64708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1CCC(CC1)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C30H37N5O2/c31-28-25-14-13-22(18-23(25)15-16-32-28)20-33-29(36)27-12-7-17-35(27)30(37)26(19-21-8-3-1-4-9-21)34-24-10-5-2-6-11-24/h1,3-4,8-9,13-16,18,24,26-27,34H,2,5-7,10-12,17,19-20H2,(H2,31,32)(H,33,36)