4-[1-(3-azanylpropyl)indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-2-one; ethanoic acid

Systemtic Name: 4-[1-(3-azanylpropyl)indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-2-one; ethanoic acid Openeye Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-2-one CAS Name: acetic acid; 4-[1-(3-aminopropyl)-3-indolyl]-3-(4-phenoxyphenyl)-1H-imidazol-2-one IUPAC Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-2-one Traditional Name: acetic acid; 5-[1-(3-aminopropyl)indol-3-yl]-1-(4-phenoxyphenyl)-4-imidazolin-2-one Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=CNC3=O)C4=CN(C5=CC=CC=C54)CCCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=CNC3=O)C4=CN(C5=CC=CC=C54)CCCN

InChI

InChI=1S/C26H24N4O2.C2H4O2/c27-15-6-16-29-18-23(22-9-4-5-10-24(22)29)25-17-28-26(31)30(25)19-11-13-21(14-12-19)32-20-7-2-1-3-8-20;1-2(3)4/h1-5,7-14,17-18H,6,15-16,27H2,(H,28,31);1H3,(H,3,4)