2-(3-imidazol-1-ylpropyl)-3-oxidanylidene-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-3-oxidanylidene-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide Openeye Name: 2-(3-imidazol-1-ylpropyl)-3-oxo-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide CAS Name: 2-[3-(1-imidazolyl)propyl]-3-oxo-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide IUPAC Name: 2-(3-imidazol-1-ylpropyl)-3-oxo-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide Traditional Name: 2-(3-imidazol-1-ylpropyl)-3-keto-N-phenethyl-1H-benzo[de]isoquinoline-1-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CCCN5C=CN=C5

InChI

InChI=1S/C27H26N4O2/c32-26(29-14-13-20-7-2-1-3-8-20)25-22-11-4-9-21-10-5-12-23(24(21)22)27(33)31(25)17-6-16-30-18-15-28-19-30/h1-5,7-12,15,18-19,25H,6,13-14,16-17H2,(H,29,32)