1-[4-[3-methyl-6-(4-phenylbutanoylamino)indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide

Systemtic Name: 1-[4-[3-methyl-6-(4-phenylbutanoylamino)indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide Openeye Name: 1-[1-hydroxy-4-[3-methyl-6-(4-phenylbutanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide CAS Name: 1-[1-hydroxy-4-[3-methyl-6-[(1-oxo-4-phenylbutyl)amino]-1-indolyl]butyl]-4-imidazolecarboxamide IUPAC Name: 1-[1-hydroxy-4-[3-methyl-6-(4-phenylbutanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide Traditional Name: 1-[1-hydroxy-4-[3-methyl-6-(4-phenylbutanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide Formula: C27H31N5O3 MolecularWeight: 473.56674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)NC(=O)CCCC3=CC=CC=C3)CCCC(N4C=C(N=C4)C(=O)N)O

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)NC(=O)CCCC3=CC=CC=C3)CCCC(N4C=C(N=C4)C(=O)N)O

InChI

InChI=1S/C27H31N5O3/c1-19-16-31(14-6-11-26(34)32-17-23(27(28)35)29-18-32)24-15-21(12-13-22(19)24)30-25(33)10-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,15-18,26,34H,5-6,9-11,14H2,1H3,(H2,28,35)(H,30,33)