2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]-3H-isoindol-1-one

Systemtic Name: 2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]-3H-isoindol-1-one Openeye Name: 2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]isoindolin-1-one CAS Name: 2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]-3H-isoindol-1-one IUPAC Name: 2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]-3H-isoindol-1-one Traditional Name: 2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]isoindolin-1-one Formula: C23H35N5O MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCCN1CC2=C(C1=O)C=CC(=C2)CNCC3=NC=CN3

Isomeric SMILES

CCCN(CCC)CCCCN1CC2=C(C1=O)C=CC(=C2)CNCC3=NC=CN3

InChI

InChI=1S/C23H35N5O/c1-3-11-27(12-4-2)13-5-6-14-28-18-20-15-19(7-8-21(20)23(28)29)16-24-17-22-25-9-10-26-22/h7-10,15,24H,3-6,11-14,16-18H2,1-2H3,(H,25,26)